SCHEMBL7525915

SCHEMBL7525915

C=CC(=O)OCCCC(C)O[SiH3]

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 1/20 0.55
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 3/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
Propene SCHEMBL28139307 0.97 TSHR (0.52) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4445636 0.95 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
Propene SCHEMBL28212160 0.94 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29035666 0.93 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3241213 0.84 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8565036 0.84 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27134193 0.84 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8899037 0.83 TSHR (0.52) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL650621 0.82 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL6520468 0.81 ATM (0.43) TSHRALDH1A1CYP3A4HPGDATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449413-B1 Polymers ICI PLC (GB) 1995-12-20 EP claimed
US-5274064-A An addition polymer having a \"hub\" of a tri-to octathiol; crosslinking IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-28 US claimed
EP-0449413-A1 Polymers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-02 EP claimed
JP-54144494-A None JP disclosed
CN-105142644-A Onapristone polymorphic forms and methods of use ARNO THERAPEUTICS 2015-12-09 CN disclosed
US-20020016269-A1 Particle perfume delivery system THE PROCTER & GAMBLE CO. 2002-02-07 US disclosed
WO-2002004586-A1 A PARTICLE PERFUME DELIVERY SYSTEM THE PROCTER & GAMBLE COMPANY (US) 2002-01-17 WO disclosed
WO-2000068275-A1 NON-SYMMETRICAL FREE RADICAL INITIATORS AND PROCESS FOR USE THEREWITH THE PROCTER & GAMBLE COMPANY (US) 2000-11-16 WO disclosed
EP-0449413-B1 Polymers ICI PLC (GB) 1995-12-20 EP disclosed
US-5274064-A An addition polymer having a \"hub\" of a tri-to octathiol; crosslinking IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-28 US disclosed
EP-0449413-A1 Polymers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-02 EP disclosed
JP-S54144494-A HEAT-CURABLE ADHESIVE COMPOSITION HAVING IMPROVED PLATING PROPERTY HITACHI LTD 1979-11-10 JP disclosed