SCHEMBL8419247

SCHEMBL8419247

CCC1C2=C(CCCC2[Ti](C)(C)C)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 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
SCHEMBL8422716 0.86
SCHEMBL6343794 0.84 HTR2A (0.33) HTR2AOPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL6345278 0.81 HTR2A (0.32) HTR2AOPRM1OPRK1OPRL1
SCHEMBL6250424 0.80 GPR3 (0.31)
SCHEMBL31039636 0.80 GPR3 (0.31)
SCHEMBL2232747 0.75
SCHEMBL2231029 0.74
SCHEMBL2234349 0.73 HTR2A (0.37) HTR2AOPRM1OPRK1OPRL1
SCHEMBL2230777 0.72
SCHEMBL28429503 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945458-A2 Transition metal compound, polymerization catalyst comprising it, and method for producing polymers using the polymerization catalyst IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1999-09-29 EP disclosed