SCHEMBL1998000

SCHEMBL1998000

CC(C)C[SnH2+4]CC(C)C.O=C([O-])/C=C(/Cc1ccccc1)C(=O)[O-].O=C([O-])/C=C(/Cc1ccccc1)C(=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
CYP2C9 P11712 1/20 0.39
AKR1B1 P15121 1/20 0.36
PSMB8 P28062 1/20 0.35
PSMB5 P28074 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
POLB P06746 2/20 0.35
ALPL P05186 1/20 0.35
ALPG P10696 1/20 0.35
CNR2 P34972 1/20 0.34
MAPK1 P28482 1/20 0.34
LAP3 P28838 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1996562 0.86 TSHR (0.44) CES2CES1CYP3A4TSHRCYP2C9
SCHEMBL1993560 0.85 CES1 (0.44) CES2CES1CYP3A4TSHRCYP2C9
SCHEMBL1998002 0.83 CES2 (0.40) CES2CES1CYP3A4TSHRCYP2C9
SCHEMBL1996564 0.83 CES2 (0.42) CES2CES1CYP3A4TSHRCYP2C9
SCHEMBL8998702 0.82 CES1 (0.41) CES2CES1CYP3A4TSHRCYP2C9
SCHEMBL1996436 0.81 CES1 (0.43) CES2CES1CYP3A4TSHRCYP2C9
SCHEMBL1998135 0.80 CES1 (0.44) CES2CES1CYP3A4TSHRCYP2C9
SCHEMBL635152 0.80 CNR2 (0.39) CES2CES1CYP3A4CYP2C9AKR1B1
SCHEMBL916235 0.77 MEN1 (0.43) CES2CES1CYP3A4CYP2C9CNR2
SCHEMBL1999009 0.77 MEN1 (0.43) CES2CES1CYP3A4CYP2C9CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3456746-B1 TERMINAL-MODIFIED CONJUGATED DIENE-BASED POLYMER, RUBBER COMPOSITION, AND RUBBER ARTICLE BRIDGESTONE CORP (JP) 2023-04-19 EP disclosed
US-10875937-B2 Terminal-modified conjugated diene polymer, rubber composition and rubber article BRIDGESTONE CORPORATION (JP) 2020-12-29 US disclosed
US-10550203-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2020-02-04 US disclosed
US-20190161571-A1 TERMINAL-MODIFIED CONJUGATED DIENE POLYMER, RUBBER COMPOSITION, RUBBER PRODUCT AND METHOD FOR MANUFACTURING TERMINAL-MODIFIED CONJUGATED DIENE POLYMER BRIDGESTONE CORPORATION (JP) 2019-05-30 US disclosed
US-20190153123-A1 TERMINAL-MODIFIED CONJUGATED DIENE POLYMER, RUBBER COMPOSITION AND RUBBER ARTICLE BRIDGESTONE CORPORATION (JP) 2019-05-23 US disclosed
EP-3466985-A1 TERMINALLY MODIFIED CONJUGATED DIENE POLYMER, RUBBER COMPOSITION, RUBBER PRODUCT, AND METHOD FOR PRODUCING TERMINALLY MODIFIED CONJUGATED DIENE POLYMER Bridgestone Corporation (JP) 2019-04-10 EP disclosed
EP-3456746-A1 TERMINAL-MODIFIED CONJUGATED DIENE-BASED POLYMER, RUBBER COMPOSITION, AND RUBBER ARTICLE Bridgestone Corporation (JP) 2019-03-20 EP disclosed
US-20180319905-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2018-11-08 US disclosed
EP-3029074-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORP (JP) 2017-08-02 EP disclosed
US-20170015760-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2017-01-19 US disclosed
US-8362156-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2013-01-29 US disclosed
US-8314189-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2012-11-20 US disclosed
US-8309657-B2 Rubber composition BRIDGESTONE CORPORATION (JP) 2012-11-13 US disclosed
US-20110196086-A1 RUBBER COMPOSITION BRIDGESTONE CORPORATION (JP) 2011-08-11 US disclosed
EP-2336233-A1 RUBBER COMPOSITION Bridgestone Corporation (JP) 2011-06-22 EP disclosed
US-20100280217-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-11-04 US disclosed
EP-2203482-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS Bridgestone Corporation (JP) 2010-07-07 EP disclosed
WO-2009051702-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-04-23 WO disclosed
WO-2009051700-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (US) 2009-04-23 WO disclosed
US-20090099325-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION 2009-04-16 US disclosed