SCHEMBL7569508

SCHEMBL7569508

C=C(C(=O)O)C(C=CC(=O)O)CC1CO1.C=C(C)C(=O)OCC1CO1.C=CC(=O)OC1(CCC)CC1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL263080 0.85 ALDH1A1 (0.58) ALDH1A1
SCHEMBL1234307 0.78 ALDH1A1 (0.54) ALDH1A1
SCHEMBL5591009 0.77 ALDH1A1 (0.61) ALDH1A1
SCHEMBL7186378 0.75 ALDH1A1 (0.66) ALDH1A1
SCHEMBL599935 0.75 ALDH1A1 (0.40) ALDH1A1
SCHEMBL2312542 0.72 ALDH1A1 (0.30) ALDH1A1
Methacrylic Acid SCHEMBL10661808 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3802017 0.71 ALDH1A1 (0.62) ALDH1A1
SCHEMBL14830548 0.71 THRB (0.44) ALDH1A1
Methacrylic Acid SCHEMBL9182083 0.71 HPGD (0.35)

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-0966352-B1 COMPOSITE SHEET MATERIAL COMPRISING POLYAMIDE FILM AND FABRIC DU PONT (US) 2002-08-28 EP disclosed