SCHEMBL5872688

SCHEMBL5872688

C=[Ti](Cl)(Cl)(C1C=Cc2c(-c3ccccc3)cccc21)C1C=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL395537 0.81 CHRNB2 (0.30) CYP2A6CHRNB2CHRNA4
SCHEMBL5872687 0.81 CHRNB2 (0.30) CYP2A6CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL395538 0.77 CHRNB2 (0.31) CHRNB2CHRNA4
SCHEMBL5872700 0.72 CHRNB2 (0.35) CYP2A6CHRNB2CHRNA4
SCHEMBL5872670 0.72 CYP2A6 (0.32) CYP2A6CHRNB2CHRNA4
SCHEMBL6930673 0.71 CHRNB2 (0.36) CYP2A6CHRNB2CHRNA4
SCHEMBL4059907 0.71 MGLL (0.38) CYP2A6CHRNB2CHRNA4
SCHEMBL31108156 0.71 CHRNB2 (0.36) CYP2A6CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL5184845 0.71 CHRNB2 (0.36) CYP2A6CHRNB2CHRNA4
SCHEMBL27448311 0.71 CHRNB2 (0.36) CYP2A6CHRNB2CHRNA4

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-7105608-B2 Copolymer of propylene with a conjugated diene and a process of preparing the same TONEN CHEMICAL CORPORATION (JP) 2006-09-12 US disclosed
US-20050154139-A1 Copolymer of propylene with a conjugated diene and a process of preparing the same TONEN CHEMICAL CORPORATION (JP) 2005-07-14 US disclosed