SCHEMBL20879282

SCHEMBL20879282

C=C(C#N)C(=O)OC(C)(C)CCCOC(C)(C)CCOP(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL21940804 0.94 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL19292027 0.79 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL19201602 0.78 BTN3A1 (0.31)
SCHEMBL26757082 0.77 BTN3A1 (0.30)
SCHEMBL23057960 0.76 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL3286566 0.74 LPAR3 (0.34) ALDH1A1TSHR
SCHEMBL11150709 0.70 ALDH1A1 (0.55) ALDH1A1TSHR
SCHEMBL4889664 0.66 TSHR (0.46) ALDH1A1TSHR
SCHEMBL10170031 0.66 LPAR3 (0.46)
SCHEMBL20696421 0.66 LPAR3 (0.44) 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
EP-3210945-B1 METHOD OF MANUFACTURING AN ETCHED GLASS ARTICLE AGFA GEVAERT (BE) 2019-04-10 EP disclosed