SCHEMBL648641

SCHEMBL648641

O=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.83
CES2 O00748 2/20 0.73
CES1 P23141 2/20 0.73
EPHX2 P34913 2/20 0.61
GSK3B P49841 2/20 0.59
PTPN1 P18031 2/20 0.59
CYP2C8 P10632 1/20 0.55
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
TTR P02766 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52
MMP1 P03956 1/20 0.50
TRPV1 Q8NER1 1/20 0.50

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
Hydrochloric Acid SCHEMBL27733522 0.97 SRD5A2 (0.79) SRD5A2CES2CES1EPHX2GSK3B
SCHEMBL28000964 0.93 SRD5A2 (0.73) SRD5A2CES2CES1EPHX2GSK3B
SCHEMBL13410662 0.93 SRD5A2 (0.73) SRD5A2CES2CES1EPHX2GSK3B
SCHEMBL5544968 0.91 SRD5A2 (0.70) SRD5A2CES2CES1EPHX2GSK3B
SCHEMBL7937285 0.91 SRD5A2 (0.70) SRD5A2CES2CES1EPHX2GSK3B
SCHEMBL2766437 0.91 SRD5A2 (1.00) SRD5A2CES2CES1EPHX2GSK3B
SCHEMBL1781341 0.91 SRD5A2 (0.77) SRD5A2CES2CES1EPHX2CYP2C8
SCHEMBL9776307 0.89 SRD5A2 (0.68) SRD5A2CES2CES1EPHX2GSK3B
SCHEMBL2685467 0.89 SRD5A2 (0.68) SRD5A2CES2CES1EPHX2GSK3B
SCHEMBL6653541 0.89 SRD5A2 (0.68) SRD5A2CES2CES1EPHX2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024019698-A1 PHOTOCATALYTIC SYNTHESIS OF ALPHA, BETA UNSATURATED CARBONYL COMPOUNDS AND THEIR INTERMEDIATES JSR CORPORATION (JP) 2024-01-25 WO claimed
CN-104093709-B It is used as the imidazole derivative of aldosterone synthase inhibitors 霍夫曼-拉罗奇有限公司 2017-09-22 CN claimed
CN-104119285-B Compound and application thereof as estrogen-related receptor modulator 中国科学院广州生物医药与健康研究院 2016-06-29 CN claimed
CN-104119285-A Compound used as estrogen-related receptor regulator and application of compound GUANGZHOU INST BIOMED & HEALTH 2014-10-29 CN claimed
CN-104093709-A Imidazolylketone derivatives as aldosterone synthase inhibitors HOFFMANN LA ROCHE 2014-10-08 CN claimed
CN-103842355-A Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS INC 2014-06-04 CN claimed
CN-103764646-A Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS INC 2014-04-30 CN claimed
EP-2220499-A2 NOGO RECEPTOR BINDING SMALL MOLECULES TO PROMOTE AXONAL GROWTH Yale University (US) 2010-08-25 EP claimed
WO-2009073141-A2 NOGO RECEPTOR BINDING SMALL MOLECULES TO PROMOTE AXONAL GROWTH STRITTMATTER STEPHEN M (US) 2009-06-11 WO claimed
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
EP-0890131-A2 PROCESS AND MATERIALS FOR INDUCING PRE-TILT IN LIQUID CRYSTALS AND LIQUID CRYSTAL DISPLAYS ALLIANT TECHSYSTEMS INC. (US) 1999-01-13 EP claimed
US-5856430-A Process and materials for inducing pre-tilt in liquid crystals and liquid crystal displays ALLIANT TECHSYSTEMS INC. (US) 1999-01-05 US claimed
US-5817743-A ANISOTROPICALLY ABSORBING MOLECULES, POLARIZED LIGHT ALLIANT TECHSYSTEMS INC. (US) 1998-10-06 US claimed
WO-1997037273-A2 PROCESS AND MATERIALS FOR INDUCING PRE-TILT IN LIQUID CRYSTALS AND LIQUID CRYSTAL DISPLAYS ALLIANT TECHSYSTEMS INC. (US) 1997-10-09 WO claimed
EP-0508999-A1 PHARMACEUTICALLY ACTIVE NORMONYL COMPOUNDS Beecham Group p.l.c. (GB) 1992-10-21 EP claimed
WO-2025109600-A1 PROCESS FOR PREPARATION OF SULFONYL PYRAZOLONES ADAMA AGAN LTD. (IL) 2025-05-30 WO disclosed
WO-2024019698-A1 PHOTOCATALYTIC SYNTHESIS OF ALPHA, BETA UNSATURATED CARBONYL COMPOUNDS AND THEIR INTERMEDIATES JSR CORPORATION (JP) 2024-01-25 WO disclosed
EP-0156278-B1 PROCESS FOR THE PREPARATION OF SYMMETRICAL BENZOPHENONES SUBSTITUTED BY FLUOR-CONTAINING GROUPS, THEIR USE AND SYMMETRICAL BENZOPHENONES SUBSTITUTED BY FLUOR-CONTAINING GROUPS BAYER AG (DE) 1988-03-02 EP disclosed
US-4288453-A A-(1-PHENYL-2,2,2-TRIFLUOROETHOXY (OR -ETHYLTHIO))ALKANOIC ACIDS USEFUL AS ANTICHOLESTEROL AND ANTILIPEMIC AGENTS SCIENCE UNION ET CIE (FR) 1981-09-08 US disclosed
US-4152441-A Analgesic imidazolemethanols GIST-BROCADES N.V. (NL) 1979-05-01 US disclosed