SCHEMBL21839361

SCHEMBL21839361

C=CC(=O)OCCOP(=O)(O)OCCC(=C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ TP53 P04637 3/20 0.44
▸ HIF1A Q16665 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP3A4 P08684 2/20 0.41
▸ THRB P10828 2/20 0.39
▸ HPGD P15428 1/20 0.38
▸ BTN3A1 O00481 1/20 0.35
▸ ALOX15 P16050 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
SCHEMBL1068090 0.85 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1137735 0.83 BTN3A1 (0.46) TSHRHSD17B10BTN3A1ALOX15
SCHEMBL367337 0.82 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7551992 0.80 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7551686 0.80 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL29842172 0.80 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL24359828 0.79 TSHR (0.62) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18544293 0.79 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3275277 0.78 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3412968 0.78 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059990-B2 Anti-fouling coatings METASHIELD LLC (US) 2021-07-13 — — US claimed
US-20200115583-A1 ANTI-FOULING COATINGS METASHIELD LLC 2020-04-16 — — US claimed
US-11059990-B2 Anti-fouling coatings METASHIELD LLC (US) 2021-07-13 — — US disclosed
US-20200115583-A1 ANTI-FOULING COATINGS METASHIELD LLC 2020-04-16 — — US disclosed
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