SCHEMBL11317543

SCHEMBL11317543

O=C1CCC(=O)OC(=O)C(CCO)(CCO)CC(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41

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
SCHEMBL5906887 0.77 TSHR (0.44) TSHR
SCHEMBL9015232 0.72
SCHEMBL9015189 0.69 CYP1A2 (0.33)
SCHEMBL3211235 0.67 KDM4E (0.33) TSHR
SCHEMBL9138136 0.67 HSD11B1 (0.32)
SCHEMBL6839899 0.67 SIRT2 (0.40) TSHR
SCHEMBL6704372 0.67 SIRT2 (0.40) TSHR
Bicarbonate SCHEMBL10925671 0.66 TSHR (0.58) TSHR
SCHEMBL3851227 0.66 TSHR (0.50) TSHR
SCHEMBL12996650 0.65

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-4305823-A MODIFIED WITH CYCLIC B-KETONIC ACIDS CIBA-GEIGY CORPORATION (US) 1981-12-15 US disclosed
US-4249000-A SEMIPERMEABLE MEMBRANES FOR REVERSE OSMOSIS CIBA-GEIGY CORPORATION (US) 1981-02-03 US disclosed