SCHEMBL9505462

SCHEMBL9505462

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

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36

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
SCHEMBL24277 0.94 TSHR (0.37) TSHR
SCHEMBL138758 0.85 TSHR (0.40) TSHR
SCHEMBL93666 0.84 TSHR (0.48) TSHR
SCHEMBL9862963 0.84 TSHR (0.33) TSHR
SCHEMBL22733773 0.82 TSHR (0.37) TSHR
SCHEMBL7934192 0.81 TSHR (0.34) TSHR
Isopropylbenzene SCHEMBL25311758 0.81 ALDH1A1 (0.41) TSHR
Isopropylbenzene SCHEMBL2319730 0.81 ALDH1A1 (0.41) TSHR
Bicarbonate SCHEMBL30595887 0.80 TSHR (0.43) TSHR
SCHEMBL21753800 0.80 TSHR (0.35) TSHR

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-0277580-B1 MODIFICATION OF THE WET FASTNESS OF SULPHUR DYEINGS CASSELLA Aktiengesellschaft (DE) 1993-09-01 EP disclosed
EP-0277580-A2 Modification of the wet fastness of sulphur dyeings CASSELLA Aktiengesellschaft (DE) 1988-08-10 EP disclosed