SCHEMBL9544440

SCHEMBL9544440

CC(=O)C(=O)C(=O)C=O.[Mo]

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
ALDH1A1 P00352 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL3674533 0.97
SCHEMBL28954114 0.94 TSHR (0.35) TSHRTHPOALDH1A1CA4
SCHEMBL1695208 0.76
SCHEMBL11573249 0.75
SCHEMBL3862740 0.75
SCHEMBL9482283 0.73
SCHEMBL13108860 0.72
SCHEMBL29683889 0.72
SCHEMBL13197318 0.72
SCHEMBL14275258 0.72

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
WO-1993014022-A1 PROCESS OF FORMING METAL COMPOUNDS USING REVERSE MICELLE OR REVERSE MICROEMULSION SYSTEMS BATTELLE MEMORIAL INSTITUTE (US) 1993-07-22 WO disclosed