SCHEMBL6674567

SCHEMBL6674567

C=C(C)C(=O)OC1CCC(OC(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.32

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
SCHEMBL372980 0.91 ALDH1A1 (0.46) ALDH1A1THRBTSHR
SCHEMBL342182 0.91 ALDH1A1 (0.46) ALDH1A1THRBTSHR
SCHEMBL25278 0.91
SCHEMBL27715802 0.85 ALDH1A1 (0.41) ALDH1A1THRBTSHR
SCHEMBL9972479 0.85 ALDH1A1 (0.41) ALDH1A1THRBTSHR
SCHEMBL91312 0.85 ALDH1A1 (0.41) ALDH1A1THRBTSHR
Maleic Acid SCHEMBL9719190 0.84 ALDH1A1 (0.37) ALDH1A1THRBTSHR
SCHEMBL119868 0.84 ALDH1A1 (0.37) ALDH1A1THRBTSHR
SCHEMBL91313 0.83 ALDH1A1 (0.40) ALDH1A1THRBTSHR
SCHEMBL2769160 0.83 ALDH1A1 (0.40) ALDH1A1THRBTSHR

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-0901043-B1 Radiation-sensitive resin composition JSR CORP (JP) 2004-10-27 EP claimed