SCHEMBL9512600

SCHEMBL9512600

C=CCC(OC(CC=C)(C(=C)O)C(=O)O)(C(=C)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.35

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
SCHEMBL26973336 0.77 ALDH1A1 (0.36) ALDH1A1TSHRHTT
SCHEMBL11579803 0.71 ALDH1A1 (0.35) ALDH1A1TSHRHTT
SCHEMBL9464479 0.70 ALDH1A1 (0.41) ALDH1A1TSHRHTT
SCHEMBL770454 0.69 ALDH1A1 (0.43) ALDH1A1TSHRHTT
SCHEMBL11033316 0.68 ALDH1A1 (0.39) ALDH1A1TSHRHTT
SCHEMBL5936843 0.67 ALDH1A1 (0.42) ALDH1A1TSHRHTT
SCHEMBL9508451 0.67 ALDH1A1 (0.38) ALDH1A1TSHRHTT
SCHEMBL7773003 0.66 TSHR (0.45) ALDH1A1TSHRHTT
SCHEMBL2732854 0.66 TSHR (0.45) ALDH1A1TSHRHTT
SCHEMBL873725 0.66 TSHR (0.45) ALDH1A1TSHRHTT

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
EP-0331472-B1 Dialkylaminoalkyl-hydroxyalkyl ethers of polygalactomannans STEIN HALL & CO INC (US) 1993-11-03 EP disclosed
US-4918181-A Tertiaryaminoalkyl-hydroxyalkyl ethers of polygalactomannans RHODIA INC. 1990-04-17 US disclosed
EP-0331472-A2 Dialkylaminoalkyl-hydroxyalkyl ethers of polygalactomannans STEIN, HALL & CO., INC. (US) 1989-09-06 EP disclosed