SCHEMBL8600908

SCHEMBL8600908

C=CC(=O)OCC(O)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 2/20 0.33
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31

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
SCHEMBL29167980 0.81 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14587914 0.81 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
Phosphoric Acid SCHEMBL28000318 0.80 TSHR (0.64) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3278845 0.78 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15032915 0.78 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5059025 0.78 TSHR (0.62) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14587913 0.77 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL693229 0.76
SCHEMBL95157 0.76 TSHR (0.64) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8965695 0.76 TSHR (0.64) TSHRALDH1A1TP53HIF1ACYP3A4

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
CN-116096342-A Thickener for hydroalcoholic compositions 可泰克斯公司 2023-05-09 CN claimed
EP-0822801-A1 TOPICAL PERSONAL CARE COMPOSITION CONTAINING ALKENYL OR STYRENE END-CAPPED SILICONE GRAFTED COPOLYMER THE PROCTER & GAMBLE COMPANY (US) 1998-02-11 EP disclosed
WO-1996032918-A1 TOPICAL PERSONAL CARE COMPOSITION CONTAINING ALKENYL OR STYRENE END-CAPPED SILICONE GRAFTED COPOLYMER THE PROCTER & GAMBLE COMPANY (US) 1996-10-24 WO disclosed