SCHEMBL6436935

SCHEMBL6436935

C=Cc1ccc([Si](C)(OC(C)C)OC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
TRPA1 O75762 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL3761540 0.85 ALDH1A1 (0.42) ALDH1A1TSHRHDAC8TAS1R3TAS1R1
SCHEMBL705977 0.83
SCHEMBL5701536 0.82 ALDH1A1 (0.44) ALDH1A1TSHRHDAC8TAS1R3TAS1R1
SCHEMBL6436939 0.78 ALDH1A1 (0.39) ALDH1A1TSHRHDAC8TAS1R3TAS1R1
SCHEMBL1448787 0.78 ALDH1A1 (0.48) ALDH1A1TSHRHDAC8TAS1R3TAS1R1
SCHEMBL28619812 0.77 ALDH1A1 (0.38) ALDH1A1TSHRHDAC8TAS1R3TAS1R1
SCHEMBL13651182 0.76 ALDH1A1 (0.46) ALDH1A1TSHRHDAC8CHRNB2CHRNB4
SCHEMBL6433033 0.74 CYP1A2 (0.31)
SCHEMBL6433575 0.74 CYP2A6 (0.35) ALDH1A1
SCHEMBL2155736 0.73 ALDH1A1 (0.42) ALDH1A1TSHRHDAC8TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276807-B1 CURABLE SILICONE RESIN COMPOSITION AND REACTIVE SILICON COMPOUNDS DOW CORNING (US) 2005-10-12 EP disclosed
US-6780471-B2 USING CROSSLINKER WITH NONFLEXIBLE LINKAGE INCLUDING AT LEAST ONE P-ARYLENE MOIETY FOR SPATIAL SEPARATION; FLEXURAL STRENGTH, FRACTURE TOUGHNESS, MODULUS AND/OR MECHANICAL DAMPING DOW CORNING CORPORATION 2004-08-24 US disclosed
US-20030130389-A1 Curable silicone resin composition and reactive silicon compounds DOW CORNING LIMITED (GB) 2003-07-10 US disclosed
EP-1276807-A1 CURABLE SILICONE RESIN COMPOSITION AND REACTIVE SILICON COMPOUNDS Dow Corning Corporation (US) 2003-01-22 EP disclosed
WO-2001083608-A1 CURABLE SILICONE RESIN COMPOSITION AND REACTIVE SILICON COMPOUNDS DOW CORNING CORPORATION (US) 2001-11-08 WO disclosed