SCHEMBL7596528

SCHEMBL7596528

CCC1=Cc2c(-c3ccccc3)cccc2C1[Zr](C)(C)CC[Zr](C)(C)C1C(CC)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL7638707 0.87 BRD4 (0.31) PDCD1CD274
SCHEMBL7643356 0.84 BRD4 (0.31) PDCD1CD274
SCHEMBL7598788 0.84
Ethane SCHEMBL8628716 0.84 PDCD1 (0.32) PDCD1CD274
Propane SCHEMBL8630706 0.84 PDCD1 (0.32) PDCD1CD274
SCHEMBL7604235 0.83 PDCD1 (0.35) HTR7PDCD1CD274
SCHEMBL7599308 0.83 CNR2 (0.32) HTR7
SCHEMBL796600 0.82 BCHE (0.35)
Hydrochloric Acid SCHEMBL3690929 0.81
Hexane SCHEMBL8606157 0.81 SOAT1 (0.32) 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