SCHEMBL7940337

SCHEMBL7940337

Cc1cc(C2=Cc3ccccc3C2c2ccc([SiH3])c(C)c2C2C(c3cc(C)cc4ccccc34)=Cc3ccccc32)c2ccccc2c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL7050669 0.79 CYP1A2 (0.33) CYP1A2CYP2A6
SCHEMBL7047607 0.77
SCHEMBL7054873 0.74 CYP1A2 (0.39) CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL8426784 0.73 CYP1A2 (0.40) CYP1A2CYP2A6
SCHEMBL8503273 0.73 CYP1A2 (0.40) CYP1A2CYP2A6
SCHEMBL7055041 0.73 CYP1A2 (0.40) CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL7196886 0.73 CYP1A2 (0.40) CYP1A2CYP2A6
SCHEMBL7051908 0.72
SCHEMBL5476789 0.72 CYP1A2 (0.39) CYP1A2CYP2A6
SCHEMBL5481647 0.71 CYP1A2 (0.38) CYP1A2CYP2A6

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
US-6255515-B1 COORDINATION POLYMERIZATION CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-03 US disclosed
EP-0985674-A1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR $g(a)-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING $g(a)-OLEFIN POLYMERS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-15 EP disclosed