SCHEMBL25200990

SCHEMBL25200990

C=CC(=O)OC(=O)C(C)=COCCO

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
HPGD P15428 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL28701636 0.83 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5141144 0.82 HSD17B10 (0.37) TSHRHSD17B10
SCHEMBL28395297 0.82 ALDH1A1 (0.35) TSHRALDH1A1HSD17B10
SCHEMBL27388489 0.81 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL27725716 0.79 TSHR (0.35) TSHR
SCHEMBL27660489 0.78 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7112947 0.78 TSHR (0.35) TSHR
SCHEMBL29020460 0.76 MGAM (0.38)
SCHEMBL5152032 0.76 TSHR (0.37) TSHRCYP3A4
SCHEMBL8629629 0.76 TSHR (0.39) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023086073-A1 PARTICLES CONTAINING POLLUTANT-CAPTURING MICELLES AND RELATED METHODS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-19 WO disclosed