SCHEMBL3308331

SCHEMBL3308331

CCOCCCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MAOB P27338 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL6934400 0.92 CES2 (0.36) ALDH1A1CES2CES1TSHR
SCHEMBL23014907 0.90 CES2 (0.39) ALDH1A1CES2CES1
SCHEMBL13626379 0.90 CES2 (0.39) ALDH1A1CES2CES1
SCHEMBL23014837 0.90 CES2 (0.39) ALDH1A1CES2CES1
SCHEMBL23014711 0.90 CES2 (0.39) ALDH1A1CES2CES1
SCHEMBL3310845 0.83
SCHEMBL5597449 0.83 MAOB (0.35) MAOB
SCHEMBL6937601 0.82 TSHR (0.37) CES2CES1MAOBTSHR
SCHEMBL6936457 0.82 TSHR (0.48) CES2CES1MAOBTSHR
SCHEMBL16133345 0.80 MAOB (0.34) MAOB

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260128377-A1 ELECTROLYTE WITH HIGH LIFSI CONCENTRATION ARKEMA FRANCE (FR) 2026-05-07 US disclosed
WO-2025046186-A1 ELECTROLYTE WITH LOW SULPHAMATE ION CONTENT ARKEMA FRANCE (FR) 2025-03-06 WO disclosed
WO-2023237027-A1 COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF IN PREPARING BICYCLOPYRONE INTERMEDIATE 山东潍坊润丰化工股份有限公司 2023-12-14 WO disclosed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
CN-114716320-B Compound, preparation method thereof and application of compound in preparation of fluroxypyr intermediate 山东潍坊润丰化工股份有限公司 2022-09-27 CN disclosed
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-08 US disclosed
EP-3524599-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2019-08-14 EP disclosed
US-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2018-12-06 US disclosed
EP-3199533-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2017-08-02 EP disclosed
US-9653754-B2 Nonaqueous electrolytes and nonaqueous-electrolyte secondary batteries employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2017-05-16 US disclosed
EP-2166611-A1 NONAQUEOUS ELECTROLYTE, AND RECHARGEABLE BATTERY WITH THE NONAQUEOUS ELECTROLYTE Mitsubishi Chemical Corporation (JP) 2010-03-24 EP disclosed
US-20090274853-A1 DICHROIC DYE COMPOSITION FUJIFILM CORPORATION (JP) 2009-11-05 US disclosed
US-20080268376-A1 POSITIVE RESIST COMPOSITION FOR IMMERSION EXPOSURE, METHOD OF FORMING RESIST PATTERN, AND FLUORINE-CONTAINING POLYMERIC COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2008-10-30 US disclosed
EP-0962445-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS INC (JP) 2003-02-26 EP disclosed
US-6217793-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS, INC. (JP) 2001-04-17 US disclosed
EP-0962445-A1 Acetylene compound, liquid crystal composition and liquid crystal element Mitsui Chemicals, Inc. (JP) 1999-12-08 EP disclosed
EP-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 EP disclosed
EP-0517498-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-09 EP disclosed
EP-0500210-A2 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-26 EP disclosed
EP-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 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 (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-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ALDH1A1 1200/4885CES2 2340/4885CES1 2486/4885
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ALDH1A1 1200/4885CES2 2340/4885CES1 2486/4885
US-20090274853-A1 DICHROIC DYE COMPOSITION C1S, CDY1; CDY1B, CRY1 ALDH1A1 755/4885CES2 2251/4885CES1 1587/4885
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ALDH1A1 1200/4885CES2 2340/4885CES1 2486/4885
US-20260128377-A1 ELECTROLYTE WITH HIGH LIFSI CONCENTRATION CCNI, FLI1, FOS ALDH1A1 3565/4885CES2 766/4885CES1 1693/4885

“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.