SCHEMBL3970679

SCHEMBL3970679

C=Cc1c[c]c(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5468624 0.80 TRPA1 (0.38) ALDH1A1
SCHEMBL5468620 0.80 TRPA1 (0.38) ALDH1A1
SCHEMBL29026302 0.76 CA12 (0.31)
SCHEMBL29167682 0.75 ALOX5AP (0.35)
SCHEMBL37002 0.74 PREP (0.43) ALDH1A1
SCHEMBL358691 0.73 ALDH1A1 (0.40) ALDH1A1
SCHEMBL36153 0.70 TRPA1 (0.42) ALDH1A1
SCHEMBL29167700 0.70 DRD2 (0.30)
SCHEMBL21268234 0.69 ALDH1A3 (0.36) ALDH1A1
SCHEMBL21268200 0.69 CHRNB2 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0688341-B1 BUTADIENE POLYMERS HAVING TERMINAL SILYL GROUPS SHELL INT RESEARCH (NL) 1997-06-11 EP claimed
EP-0688341-A1 BUTADIENE POLYMERS HAVING TERMINAL SILYL GROUPS SHELL INT RESEARCH (NL) 1995-12-27 EP claimed
WO-1994020553-A1 BUTADIENE POLYMERS HAVING TERMINAL SILYL GROUPS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-09-15 WO claimed
EP-1153950-B1 RESIN COMPOSITION, POLYMER, AND PROCESS FOR PRODUCING POLYMER KANEKA CORP (JP) 2009-03-11 EP disclosed
CN-1057778-C Butadiene polymers having terminal silyl groups SHELL INT RESEARCH (NL) 2000-10-25 CN disclosed
EP-0688341-B1 BUTADIENE POLYMERS HAVING TERMINAL SILYL GROUPS SHELL INT RESEARCH (NL) 1997-06-11 EP disclosed
EP-0688341-B1 BUTADIENE POLYMERS HAVING TERMINAL SILYL GROUPS SHELL INT RESEARCH (NL) 1997-06-11 EP disclosed
CN-1120341-A Butadiene polymers having terminal silyl groups SHELL INT RESEARCH (NL) 1996-04-10 CN disclosed
EP-0688341-A1 BUTADIENE POLYMERS HAVING TERMINAL SILYL GROUPS SHELL INT RESEARCH (NL) 1995-12-27 EP disclosed
EP-0688341-A1 BUTADIENE POLYMERS HAVING TERMINAL SILYL GROUPS SHELL INT RESEARCH (NL) 1995-12-27 EP disclosed
WO-1994020553-A1 BUTADIENE POLYMERS HAVING TERMINAL SILYL GROUPS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-09-15 WO disclosed
WO-1994020553-A1 BUTADIENE POLYMERS HAVING TERMINAL SILYL GROUPS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-09-15 WO disclosed
US-5336726-A Butadiene polymers having terminal silyl groups SHELL OIL COMPANY (US) 1994-08-09 US disclosed
US-5336726-A Butadiene polymers having terminal silyl groups SHELL OIL COMPANY (US) 1994-08-09 US disclosed