SCHEMBL4632870

SCHEMBL4632870

COCC[Ti](Cl)(Cl)(Cl)C1C=Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.36
HTR6 P50406 1/20 0.32
HTR2A P28223 1/20 0.32
OPRM1 P35372 7/20 0.31
OPRD1 P41143 6/20 0.31
OPRK1 P41145 3/20 0.31
SIGMAR1 Q99720 2/20 0.30

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
SCHEMBL7937299 0.79 HTR2A (0.36) RETHTR6HTR2AOPRK1SIGMAR1
SCHEMBL4632824 0.77 RET (0.39) RETHTR6HTR2ASIGMAR1
SCHEMBL3381692 0.73 BRD4 (0.36) RETHTR6HTR2AOPRK1SIGMAR1
SCHEMBL8831915 0.71 RET (0.31) RETHTR6HTR2A
SCHEMBL4457209 0.70 BRD4 (0.34) RETHTR6HTR2AOPRK1SIGMAR1
SCHEMBL4469581 0.70 HTR2A (0.34) RETHTR6HTR2AOPRK1SIGMAR1
Hydrochloric Acid SCHEMBL7108175 0.70 HTR6 (0.32) HTR6HTR2ASIGMAR1
SCHEMBL7769223 0.70 HTR2A (0.35) HTR6HTR2A
SCHEMBL2538857 0.70 HTR2A (0.35) HTR6HTR2A
SCHEMBL393668 0.69 HTR2A (0.36) RETHTR6HTR2AOPRK1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1520862-B1 Butadiene polymer, and process for producing conjugated diene polymer AGENCY IND SCIENCE TECHN (JP) 2008-05-28 EP disclosed
EP-1520862-A2 Butadiene polymer, and process for producing conjugated diene polymer JAPAN as Represented by DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2005-04-06 EP disclosed
EP-1054026-B1 BUTADIENE POLYMERS AND PROCESS FOR PRODUCING CONJUGATED DIENE POLYMERS JP AGENCY OF INDUSTRIALSCIENCE (JP) 2004-12-08 EP disclosed
US-6653430-B1 Addition polymerizing in presence of Group 4 metal complex having cyclopentadienyl structure and alumoxane cocatalyst; high cis configuration JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-11-25 US disclosed
EP-1054026-A1 BUTADIENE POLYMERS AND PROCESS FOR PRODUCING CONJUGATED DIENE POLYMERS JAPAN as Represented by DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2000-11-22 EP disclosed