SCHEMBL16144807

SCHEMBL16144807

Cc1ccc2c(c1)C=CC2[Ti](Cl)(Cl)C1C=Cc2cc(C)ccc21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
ACHE P22303 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
SCHEMBL8036377 0.89 CHRNB2 (0.30) CHRNB2CHRNA4ACHE
SCHEMBL16144825 0.85 TRPA1 (0.30) TRPA1CHRNB2CHRNA4
SCHEMBL8038255 0.81 HTR2A (0.32) CHRNB2CHRNA4ACHE
SCHEMBL28261877 0.75 ACHE (0.33) CHRNB2CHRNA4ACHE
SCHEMBL8766062 0.72 ACHE (0.35) TRPA1CHRNB2CHRNA4ACHE
SCHEMBL29476027 0.72 ACHE (0.35) TRPA1CHRNB2CHRNA4ACHE
SCHEMBL24455618 0.71 CHRNB2 (0.36) CHRNB2CHRNA4ACHE
SCHEMBL8034469 0.71 ACHE (0.33) CHRNB2CHRNA4ACHE
SCHEMBL28261874 0.71 ACHE (0.33) CHRNB2CHRNA4ACHE
SCHEMBL28330226 0.71 ACHE (0.33) CHRNB2CHRNA4ACHE

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
US-20140303332-A1 CATALYST FOR OLEFIN POLYMERIZATION AND COPOLYMERIZATION, AND OLEFIN POLYMERIZATION OR COPOLYMERIZATION METHOD USING SAME HANWHA TOTAL PETROCHEMICAL CO., LTD. (KR) 2014-10-09 US disclosed