SCHEMBL8219418

SCHEMBL8219418

C=CC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCO

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.83
ALDH1A1 P00352 4/20 0.83
CYP3A4 P08684 2/20 0.83
HPGD P15428 1/20 0.61
TP53 P04637 3/20 0.56
HIF1A Q16665 3/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
APP P05067 2/20 0.44
ACHE P22303 6/20 0.42
THRB P10828 2/20 0.42
HCAR2 Q8TDS4 2/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL221740 1.00 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
1,6-Hexanediol SCHEMBL1954486 1.00 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11654713 1.00 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13411286 1.00 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8211742 1.00 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL7717221 1.00 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL209596 1.00 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL35062 1.00 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5918785 1.00 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8850663 1.00 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6024895-A COMPRISING SOLUBLE, ELECTRICALLY CONDUCTING POLYMER HAVING SULFONIC ACID GROUP AND/OR CARBOXYL GROUP AND THERMALLY CROSS-LINKABLE OR ULTRAVIOLET- OR ELECTRON BEAM-CROSS-LINKABLE RESIN OR PAINT MITSUBISHI RAYON CO., LTD. (JP) 2000-02-15 US disclosed
EP-0844284-A1 CROSS-LINKABLE CONDUCTIVE COMPOSITION, CONDUCTOR, AND PROCESS FOR FORMING THE SAME NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1998-05-27 EP disclosed
EP-0837112-A2 Cross-linkable, electrically conductive composition, electric conductor and process for forming the same NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1998-04-22 EP disclosed