SCHEMBL7940154

SCHEMBL7940154

C=[Zr](Cl)(Cl)(C1C=C(c2ccccc2)c2ccccc21)C1C=C(c2ccccc2)c2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
PTPRC P08575 1/20 0.30
PTPRF P10586 1/20 0.30
PTPN1 P18031 1/20 0.30
CDC25B P30305 1/20 0.30
BACE1 P56817 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
SCHEMBL7645446 0.75 GPR3 (0.31)
SCHEMBL15815562 0.74
SCHEMBL6908099 0.72
SCHEMBL6910627 0.72 HTR6 (0.31)
SCHEMBL6909502 0.72
SCHEMBL6406907 0.72 MEN1 (0.32)
SCHEMBL8166425 0.72 HTR6 (0.43) ALDH1A1
SCHEMBL6907800 0.71
SCHEMBL6408816 0.71
SCHEMBL6910590 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268518-B1 AS POLYMERIZATION CATALYSTS FOR POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY B.V. (NL) 2001-07-31 US disclosed
EP-0914323-A1 METALLOCENES AND CATALYSTS FOR POLYMERIZATION OF OLEFINS Montell Technology Company B.V. (NL) 1999-05-12 EP disclosed
WO-1998043989-A1 METALLOCENES AND CATALYSTS FOR POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-10-08 WO disclosed