SCHEMBL7602030

SCHEMBL7602030

CC1=Cc2c(-c3ccccc3)cccc2C1[Hf](C)(C)[Si]1([Hf](C)(C)C2C(C)=Cc3c(-c4ccccc4)cccc32)CCCC1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL797338 0.82 SOAT1 (0.31)
SCHEMBL21778060 0.82 PDCD1 (0.34) CHRNB2CHRNA4HTR1AHTR7HTR2B
SCHEMBL19639745 0.78 PDCD1 (0.32) CHRNB2CHRNA4HTR1AHTR7HTR2B
SCHEMBL7599336 0.78 PDCD1 (0.35) CHRNB2CHRNA4HTR1AHTR7HTR2B
Hydrochloric Acid SCHEMBL218390 0.74
SCHEMBL8052319 0.74 CHRNB2 (0.31) CHRNB2CHRNA4
SCHEMBL5363466 0.73 CHRNB2 (0.32) CHRNB2CHRNA4HTR1AHTR7HTR2B
SCHEMBL7677396 0.73 PDCD1 (0.30)
SCHEMBL7598863 0.73 CHRNB2 (0.30) CHRNB2CHRNA4
Hexane SCHEMBL8604375 0.72 SOAT1 (0.34)

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