SCHEMBL4325199

SCHEMBL4325199

O=C(O)CC(CF)(CF)CF

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HMGCR P04035 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
ACLY P53396 3/20 0.39
MVD P53602 1/20 0.36
CPT2 P23786 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
FFAR1 O14842 1/20 0.35
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
LMNA P02545 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Oxalic Acid SCHEMBL27725522 0.94 ALDH1A1 (0.38) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL3515860 0.84 HMGCR (0.40) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL544773 0.79 ALDH1A1 (0.50) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL11507779 0.73 MVD (0.47) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL631254 0.73
SCHEMBL5884075 0.73 TSHR (0.35) ALDH1A1TSHR
SCHEMBL27742868 0.73
SCHEMBL9770202 0.71 ALDH1A1 (0.43) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL12386935 0.71 ALDH1A1 (0.43) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL4807365 0.71 ALDH1A1 (0.43) ALDH1A1HMGCRCHRM1TBXA2RADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150380769-A1 NONAQUEOUS ELECTROLYTE SECONDARY BATTERY PANASONIC CORPORATION (JP) 2015-12-31 US claimed
US-20240213548-A1 NON-AQUEOUS ELECTROLYTE SOLUTION, ELECTROCHEMICAL DEVICE PRECURSOR, ELECTROCHEMICAL DEVICE, AND METHOD OF PRODUCING ELECTROCHEMICAL DEVICE MITSUI CHEMICALS, INC. (JP) 2024-06-27 US disclosed
EP-4310973-A1 NON-AQUEOUS ELECTROLYTE, ELECTROCHEMICAL DEVICE PRECURSOR, ELECTROCHEMICAL DEVICE, AND METHOD FOR PRODUCING ELECTROCHEMICAL DEVICE Mitsui Chemicals, Inc. (JP) 2024-01-24 EP disclosed
US-20230044513-A1 POSITIVE ELECTRODE ACTIVE MATERIAL FOR NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY PANASONIC INTELLECTUAL PROPERTY MANAGEMENT CO., LTD. (JP) 2023-02-09 US disclosed
US-20220199967-A1 POSITIVE ELECTRODE ACTIVE MATERIAL FOR NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY PANASONIC INTELLECTUAL PROPERTY MANAGEMENT CO., LTD. (JP) 2022-06-23 US disclosed
US-10374259-B2 Hydrofluoroether compound, nonaqueous electrolyte solution and lithium ion secondary battery NEC CORPORATION (JP) 2019-08-06 US disclosed
CN-109134216-A A kind of preparation method of trifluoromethyl substituted carboxylic acid compound 浙江九洲药业股份有限公司 2019-01-04 CN disclosed
US-20180115020-A1 HYDROFLUOROETHER COMPOUND, NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM ION SECONDARY BATTERY NEC CORPORATION (JP) 2018-04-26 US disclosed
US-20150380769-A1 NONAQUEOUS ELECTROLYTE SECONDARY BATTERY PANASONIC CORPORATION (JP) 2015-12-31 US disclosed
CN-103172515-A Preparation method of 3,3,3-trifluoromethyl propionate XIAN MODERN CHEMISTRY RES INST 2013-06-26 CN disclosed
CN-103172515-A Preparation method of 3,3,3-trifluoromethyl propionate XIAN MODERN CHEMISTRY RES INST 2013-06-26 CN disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
EP-1581515-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-10-10 EP disclosed
EP-1581515-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 Merck & Co., Inc. (US) 2005-10-05 EP disclosed
US-20050154038-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME LLC 2005-07-14 US disclosed
US-6849636-B2 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2005-02-01 US disclosed
WO-2004058741-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2004-07-15 WO disclosed
US-20040133011-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME LLC 2004-07-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10374259-B2 Hydrofluoroether compound, nonaqueous electrolyte solution and lithium ion secondary battery NHERF1, SLC9A1, SLC9A2 ALDH1A1 1281/4885HMGCR 4362/4885CHRM1 1718/4885
US-20050154038-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 ALDH1A1 145/4885HMGCR 67/4885CHRM1 4027/4885
US-20040133011-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 ALDH1A1 146/4885HMGCR 69/4885CHRM1 3855/4885
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD17B1, HSD3B1 ALDH1A1 145/4885HMGCR 67/4885CHRM1 4027/4885
US-20180115020-A1 HYDROFLUOROETHER COMPOUND, NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM ION SECONDARY BATTERY NHERF1, SLC9A1, SLC9A2 ALDH1A1 1281/4885HMGCR 4362/4885CHRM1 1718/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.