SCHEMBL7900779

SCHEMBL7900779

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

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7638295 0.86 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7900324 0.80 HCAR2 (0.36) ALDH1A1
SCHEMBL11875877 0.79 TSHR (0.35)
SCHEMBL10953667 0.74
SCHEMBL5002264 0.74 ALDH1A1 (0.40) ALDH1A1
SCHEMBL10378278 0.73 ALOX15 (0.36)
SCHEMBL28309667 0.71 ALDH1A1 (0.38) ALDH1A1
Methacrylic Acid SCHEMBL27490392 0.69 ALDH1A1 (0.52) ALDH1A1
SCHEMBL285229 0.69 ALDH1A1 (0.46) ALDH1A1
SCHEMBL28134832 0.69 ALDH1A1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6190825-B1 N-(P-AMINOSULFONYL)PHENYL-SUBSTITUTED AGFA-GEVAERT N.V. (BE) 2001-02-20 US disclosed
US-5695608-A COATING FORMED FROM SYNTHETIC RESIN CONTAINING CRYSTALLINE PHYLLOSILICATE COMPOUND PARTICLES AND MOISTURE PROOFNESS ENHANCING AGENT NEW OJI PAPER CO., INC. (JP) 1997-12-09 US disclosed