SCHEMBL6908395

SCHEMBL6908395

CC1=C(C)C([Ti](Cl)Cl)c2cccc(C)c21

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 2/20 0.35
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 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
SCHEMBL4062877 0.73 GPR3 (0.33) PBRM1
SCHEMBL29458527 0.72 ALDH1A1 (0.35) HTR2AHTR2CHTR2B
SCHEMBL7258798 0.72 ALDH1A1 (0.35) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL27500337 0.72 HTR2C (0.31) HTR2AHTR2CHTR2B
SCHEMBL7621162 0.71 HTR2C (0.33) HTR2AHTR2CHTR2B
SCHEMBL4819151 0.71 HTR2C (0.33) PBRM1HTR2AHTR2CHTR2B
SCHEMBL4061999 0.70 MGAM (0.34) PBRM1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL6908390 0.69 HTR2C (0.32) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL9422128 0.69 HTR2C (0.32) HTR2AHTR2CHTR2B
SCHEMBL7634417 0.69 HTR2C (0.32) HTR2AHTR2CHTR2B

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-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