SCHEMBL7646645

SCHEMBL7646645

C=CC(=O)OCCCC1OCCO1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.57
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 2/20 0.57
HPGD P15428 1/20 0.52
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
HSD17B10 Q99714 1/20 0.47
ATM Q13315 1/20 0.37
THRB P10828 2/20 0.37
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCAR2 Q8TDS4 3/20 0.33

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
SCHEMBL1318703 0.86 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL20505341 0.86 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3957699 0.83 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL7784243 0.83 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL30259383 0.82 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1355256 0.81 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8943372 0.79 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL353292 0.79 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL7707036 0.79 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8943825 0.79 TSHR (0.63) 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
EP-0875540-B1 Single phase system based on coreactive latex resins ATOFINA (FR) 2002-11-13 EP claimed
US-6107391-A MIXTURE OF TWO PARTICLE DISPERSIONS, EACH OBTAINED BY AQUEOUS EMULSION POLYMERIZATION; ONE FROM AN UNSATURATED MONOMER WITH UREA GROUPS; THE OTHER FROM AN UNSATURATED ALDEHYDE; LATEX BINDERS FOR COATINGS; STORAGE STABILITY; LOW-TEMP CROSSLINK ELF ATOCHEM S.A. (FR) 2000-08-22 US claimed
US-6107391-A MIXTURE OF TWO PARTICLE DISPERSIONS, EACH OBTAINED BY AQUEOUS EMULSION POLYMERIZATION; ONE FROM AN UNSATURATED MONOMER WITH UREA GROUPS; THE OTHER FROM AN UNSATURATED ALDEHYDE; LATEX BINDERS FOR COATINGS; STORAGE STABILITY; LOW-TEMP CROSSLINK ELF ATOCHEM S.A. (FR) 2000-08-22 US disclosed