SCHEMBL9510431

SCHEMBL9510431

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

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL9510427 1.00 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL11065980 1.00 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL9721072 0.89
SCHEMBL13479481 0.89
SCHEMBL18873888 0.87
SCHEMBL5873552 0.85
SCHEMBL2616617 0.85 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL2631743 0.85 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL9348546 0.85
SCHEMBL1679735 0.85 ALDH1A1 (0.42) ALDH1A1TSHR

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
EP-0563025-A1 Catalytic system for oxidation of organic compounds and process of preparation of such a system UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 1993-09-29 EP disclosed
US-4466805-A 1,1,6,6-TETRAALKOXY HEXA-2,4-DIENES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-08-21 US disclosed