SCHEMBL7602344

SCHEMBL7602344

CC1=C2c3c(-c4ccccc4)cccc3C1[Nb](C)(C)C1C(C)=C(c3c(-c4ccccc4)cccc31)[Si]2(C)C

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
SCHEMBL797223 0.81 BCHE (0.31)
SCHEMBL1900079 0.78 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6464432 0.77 PDCD1 (0.31) PDCD1CD274CHRNB2CHRNA4
SCHEMBL5067415 0.77 PDCD1 (0.31) PDCD1CD274CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7583888 0.77 PDCD1 (0.31) PDCD1CD274CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL481289 0.77 PDCD1 (0.31) PDCD1CD274CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL1775471 0.77 PDCD1 (0.31) PDCD1CD274CHRNB2CHRNA4
SCHEMBL17387103 0.77 PDCD1 (0.31) PDCD1CD274CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6439096 0.77 PDCD1 (0.31) PDCD1CD274CHRNB2CHRNA4
SCHEMBL797335 0.76 PDCD1 (0.30) PDCD1CD274

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