SCHEMBL17377696

SCHEMBL17377696

[CH2]CC(=O)OCC(COC(=O)C=C)OCCCCP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.33
LPAR1 Q92633 2/20 0.32
LPAR3 Q9UBY5 2/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL296574 0.75 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDLPAR3
SCHEMBL15032666 0.74 TSHR (0.41) TSHRALDH1A1CYP3A4HPGDLPAR3
SCHEMBL5050857 0.74 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDLPAR3
SCHEMBL2943780 0.74 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDLPAR3
SCHEMBL31050900 0.74 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDLPAR3
SCHEMBL28268629 0.74 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDLPAR3
SCHEMBL15032975 0.71 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDLPAR1
SCHEMBL16362481 0.71 TSHR (0.41) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL42398 0.70 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDLPAR3
SCHEMBL15032660 0.69 TSHR (0.44) 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-10221274-B2 Polyurethanes, articles comprising the same and methods of manufacture thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-03-05 US disclosed
US-20170152338-A1 POLYURETHANES, ARTICLES COMPRISING THE SAME AND METHODS OF MANUFACTURE THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-06-01 US disclosed
WO-2015200591-A1 POLYURETHANES, ARTICLES COMPRISING THE SAME AND METHODS OF MANUFACTURE THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-12-30 WO disclosed