SCHEMBL5872680

SCHEMBL5872680

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CYP2A6 P11509 1/20 0.31
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
SCHEMBL820472 0.83 PDCD1 (0.33) PDCD1CD274HTR1AHTR7HTR2B
SCHEMBL819030 0.83 PDCD1 (0.30) PDCD1CD274
SCHEMBL397902 0.83 PDCD1 (0.30) PDCD1CD274
SCHEMBL2535831 0.83 PDCD1 (0.30) PDCD1CD274
SCHEMBL6909573 0.81 PDCD1 (0.32) PDCD1CD274
SCHEMBL8204576 0.81 PDCD1 (0.33) PDCD1CD274CHRNB2CHRNA4
SCHEMBL6910477 0.80
Hydrochloric Acid SCHEMBL397903 0.79 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4
SCHEMBL6063422 0.79 BCHE (0.32) PDCD1CD274
SCHEMBL15334239 0.79

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105608-B2 Copolymer of propylene with a conjugated diene and a process of preparing the same TONEN CHEMICAL CORPORATION (JP) 2006-09-12 US disclosed
US-20050154139-A1 Copolymer of propylene with a conjugated diene and a process of preparing the same TONEN CHEMICAL CORPORATION (JP) 2005-07-14 US disclosed
US-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 US disclosed