SCHEMBL7602976

SCHEMBL7602976

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr](C)(C)C(C)(C)[Zr](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
SCHEMBL27493379 0.85 PDCD1 (0.34) PDCD1CD274CHRNB2CHRNA4
SCHEMBL5951553 0.85 PDCD1 (0.34) PDCD1CD274CHRNB2CHRNA4
SCHEMBL7598788 0.82
SCHEMBL7601460 0.82 CA12 (0.32)
Hydrochloric Acid SCHEMBL7636569 0.81 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4
SCHEMBL7604235 0.81 PDCD1 (0.35) PDCD1CD274CHRNB2CHRNA4
SCHEMBL19639744 0.81 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4
SCHEMBL2525984 0.81 PDCD1 (0.33) PDCD1CD274CHRNB2CHRNA4
SCHEMBL7643009 0.81 BRD4 (0.33) PDCD1CD274CHRNB2CHRNA4
SCHEMBL7636072 0.81 BRD4 (0.33) 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