SCHEMBL7599199

SCHEMBL7599199

CC1=Cc2c(-c3ccccc3)cccc2C1[Ti](C)(C)C(C)(C)[Ti](C)(C)C1C(C)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL7599727 0.82 PTPN1 (0.33)
SCHEMBL727244 0.81
SCHEMBL8820785 0.80 PDCD1 (0.31) PDCD1CD274CHRNB2CHRNA4
SCHEMBL797527 0.78 BCHE (0.33)
SCHEMBL7038029 0.76 PDCD1 (0.34) PDCD1CD274CHRNB2CHRNA4
SCHEMBL7525652 0.75 PDCD1 (0.36) PDCD1CD274CHRNB2CHRNA4
SCHEMBL5694274 0.73 PDCD1 (0.37) PDCD1CD274CHRNB2CHRNA4
Chloromethane SCHEMBL5722647 0.73 PDCD1 (0.34) PDCD1CD274CHRNB2CHRNA4
SCHEMBL8151655 0.72 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4
SCHEMBL28550963 0.72 PDCD1 (0.36) PDCD1CD274CHRNB2CHRNA4

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-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed