SCHEMBL9512602

SCHEMBL9512602

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 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
SCHEMBL11033316 0.80 ALDH1A1 (0.39) ALDH1A1TSHRHTT
SCHEMBL5617495 0.76 ALDH1A1 (0.35) ALDH1A1TSHRHTT
SCHEMBL10604493 0.76 ALDH1A1 (0.35) ALDH1A1TSHRHTT
SCHEMBL17975859 0.74 ALDH1A1 (0.38) ALDH1A1TSHRHTT
SCHEMBL363110 0.73 ALDH1A1 (0.36) ALDH1A1TSHRHTT
SCHEMBL3807763 0.72 HTT (0.35) ALDH1A1TSHRHTT
SCHEMBL13727785 0.70 HTT (0.36) ALDH1A1TSHRHTT
SCHEMBL6416183 0.70 HTT (0.36) ALDH1A1TSHRHTT
SCHEMBL11044584 0.70 ALDH1A1 (0.34) ALDH1A1TSHRHTT
SCHEMBL5008762 0.69 TSHR (0.32) 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 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