SCHEMBL7642133

SCHEMBL7642133

CC(C)P(C(C)C)[Zr](Cl)(Cl)(Cl)C1C=Cc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.32
HTR6 P50406 1/20 0.30
HTR2A P28223 1/20 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
SCHEMBL7641692 0.81 BRD4 (0.33) SIGMAR1HTR6HTR2A
SCHEMBL2763485 0.80 SIGMAR1 (0.35) SIGMAR1HTR6HTR2A
SCHEMBL3380394 0.75 HTR2A (0.35) SIGMAR1HTR6HTR2A
SCHEMBL7640935 0.75 HTR6 (0.31) HTR6HTR2A
SCHEMBL376490 0.75 HTR2A (0.36) SIGMAR1HTR6HTR2A
SCHEMBL441993 0.74 SIGMAR1 (0.32) SIGMAR1HTR6HTR2A
SCHEMBL1538971 0.73 HTR2A (0.35) SIGMAR1HTR6HTR2A
SCHEMBL439185 0.73 SIGMAR1 (0.32) SIGMAR1
SCHEMBL7184249 0.73 HTR2A (0.33) SIGMAR1HTR6HTR2A
SCHEMBL27688901 0.73 HTR2A (0.33) SIGMAR1HTR6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6433112-B1 COORDINATION POLYMERIZATION CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed
US-6191241-B1 Method for producing high melting-point polyolefins BAYER AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
US-6184320-B1 AS POLYMERIZATION CATALYSTS BAYER AKTIENGESELLSCHAFT (DE) 2001-02-06 US disclosed
US-6174974-B1 CATALYTIC POLYMERIZATION OF MONOMERS FOR POLYMERS WITH TRANSISTION METAL BAYER AKTIENGESELLSCHAFT (DE) 2001-01-16 US disclosed
US-6172169-B1 Method for producing elastomers BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-6156857-A Method for producing cycloolefin (co)polymers for technical applications BAYER AKTIENGESELLSCHAFT (DE) 2000-12-05 US disclosed