SCHEMBL8358973

SCHEMBL8358973

C=CC(=O)OCCCOP(=O)(O)O.[KH]

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.59
ALDH1A1 P00352 4/20 0.59
CYP3A4 P08684 2/20 0.59
HPGD P15428 1/20 0.53
LPAR3 Q9UBY5 8/20 0.50
LPAR2 Q9HBW0 6/20 0.50
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
LPAR1 Q92633 4/20 0.41
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL43198 0.98 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDLPAR3
SCHEMBL28929818 0.96 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDLPAR3
SCHEMBL28245749 0.96 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDLPAR3
SCHEMBL11311462 0.96 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDLPAR3
SCHEMBL42087 0.94 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDLPAR3
SCHEMBL29944764 0.93 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDLPAR3
SCHEMBL6783959 0.93 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDLPAR3
SCHEMBL22129975 0.93 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDLPAR3
SCHEMBL6791404 0.93 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDLPAR3
SCHEMBL22471730 0.93 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDLPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814092-B Composition for hydrophilic cured product 三井化学株式会社 2018-09-21 CN disclosed
US-5888719-A CONTINING A POLYMER; DARK DECAY STABILITY AGFA-GEVAERT AG (DE) 1999-03-30 US disclosed
US-5518877-A POLYPEPTIDE-ADDITION POLYMER AGFA-GEVAERT AG (DE) 1996-05-21 US disclosed
EP-0042307-B1 AN OPTICAL RECORDING ELEMENT AND A METHOD OF RECORDING INFORMATION USING THE ELEMENT EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1986-09-10 EP disclosed
US-4340655-A Thermal and mechanical barrier layers for optical recording elements EASTMAN KODAK COMPANY (US) 1982-07-20 US disclosed
EP-0042307-A2 An optical recording element and a method of recording information using the element EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1981-12-23 EP disclosed