SCHEMBL4305644

SCHEMBL4305644

CC(Cl)(OC(=O)O)C(Cl)(Cl)OC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 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
SCHEMBL29010190 0.81 ALDH1A1 (0.33) ALDH1A1TSHRTP53
SCHEMBL1555226 0.80 ALDH1A1 (0.41) ALDH1A1TSHRTP53
SCHEMBL10710353 0.75
SCHEMBL609976 0.75
SCHEMBL291088 0.70 ALDH1A1 (0.33) ALDH1A1TSHRTP53
SCHEMBL10455709 0.70 ALDH1A1 (0.33) ALDH1A1TSHRTP53
Ethane SCHEMBL610800 0.69 ALDH1A1 (0.37) ALDH1A1TSHRTP53
SCHEMBL28558323 0.68 ALDH1A1 (0.32) ALDH1A1TSHRTP53
SCHEMBL11467000 0.67 ALDH1A1 (0.41) ALDH1A1TSHRTP53
SCHEMBL6335691 0.67 TSHR (0.39) ALDH1A1TSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197184-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION BATTERY AND NON-AQUEOUS ELECTROLYTIC SOLUTION COMPOSITION SONY CORPORATION (JP) 2009-08-06 US disclosed
US-7491471-B2 Electrolyte for lithium secondary battery and lithium secondary battery comprising same SAMSUNG SDI CO., LTD. (KR) 2009-02-17 US disclosed
US-7022878-B2 such as lithium tetrakis (trifluoroacetate) borate and/or lithium tetrakis (difluoroacetate) borate, having excellent solubility against a nonaqueous solvent; improved electroconductivity HITACHI, LTD. (JP) 2006-04-04 US disclosed
US-20050171383-A1 such as lithium tetrakis (trifluoroacetate) borate and/or lithium tetrakis (difluoroacetate) borate, having excellent solubility against a nonaqueous solvent; improved electroconductivity HITACHI, LTD. (JP) 2005-08-04 US disclosed
US-20050014072-A1 Electrolyte for lithium secondary battery and lithium secondary battery comprising same SAMSUNG SDI CO., LTD., A CORPORATION ORGANIZED UNDER THE LAWS OF THE REPUBLIC OF KOREA (KR) 2005-01-20 US disclosed
EP-1498979-A1 Organic electrolyte for lithium secondary battery and lithium secondary battery comprising same Samsung SDI Co., Ltd. (KR) 2005-01-19 EP disclosed
US-6824928-B2 NEW COMPOUND EXCELLENT IN SOLUBILITY AGAINST A NONAQUEOUS SOLVENT, AND THE ELECTROLYTES USING THIS COMPOUND ARE HIGH IN ELECTROCONDUCTIVITY HITACHI, LTD. (JP) 2004-11-30 US disclosed
US-20040053139-A1 Such as lithium-tetrakis(trifluoroacetate)borate which is highly soluble in solvent of low dielectric constant (ethylene carbonate); improved high-temperature storage; for use in electric appliances/automobiles HITACHI, LTD. (JP) 2004-03-18 US disclosed
US-20020160273-A1 Electrolytic cells; mixture of borate and solvent KANTO KAGAKU KABUSHIKI KAISHA (JP) 2002-10-31 US disclosed
EP-1197494-A2 New organic borate compounds and the nonaqueous electrolytes and lithium secondary batteries using the compounds Kanto Kagaku Kabushiki Kaisha (JP) 2002-04-17 EP 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 (3 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-20050171383-A1 such as lithium tetrakis (trifluoroacetate) borate and/or lithium tetrakis (difluoroacetate) borate, having excellent solubility against a nonaqueous solvent; improved electroconductivity CTCF, NONO, LEF1 ALDH1A1 2750/4885TSHR 1925/4885TP53 2583/4885
US-20020160273-A1 Electrolytic cells; mixture of borate and solvent RER1, KCNN3, HCN3 ALDH1A1 4070/4885TSHR 896/4885TP53 3438/4885
US-20040053139-A1 Such as lithium-tetrakis(trifluoroacetate)borate which is highly soluble in solvent of low dielectric constant (ethylene carbonate); improved high-temperature storage; for use in electric appliances/automobiles MCM3, AP3D1, KCNN3 ALDH1A1 4534/4885TSHR 763/4885TP53 3677/4885

“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.