SCHEMBL8366223

SCHEMBL8366223

CC(C)=C1C=CC(C2c3ccccc3-c3ccccc32)=C1[Hf]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
GPR3 P46089 1/20 0.32
HTR2A P28223 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL7600618 0.79 POLB (0.38) POLBGPR3HTR2A
Hydrochloric Acid SCHEMBL3783189 0.79 HTR2A (0.35) POLBGPR3HTR2ACYP1A2CYP3A4
Bromide SCHEMBL7205884 0.79 HTR2A (0.35) POLBGPR3HTR2A
Hydrochloric Acid SCHEMBL7592112 0.79 POLB (0.34) POLBGPR3HTR2A
Hydrochloric Acid SCHEMBL7095854 0.79 POLB (0.34) POLBGPR3HTR2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8927357 0.68 HTR2A (0.32) POLBHTR2ACYP1A2CYP3A4GAA
Hydrochloric Acid SCHEMBL8927344 0.68 POLB (0.31) POLBCYP1A2CYP3A4GAACYP2D6
SCHEMBL27510570 0.68 POLB (0.36) POLBGPR3HTR2A
Hydrochloric Acid SCHEMBL8854555 0.68 HTR2A (0.36) GPR3HTR2ACYP1A2CYP3A4GAA
SCHEMBL8093928 0.67 POLB (0.30) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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