SCHEMBL11599480

SCHEMBL11599480

C=CC(=O)OC1COC(=O)O1.C=CC(=O)OC1COC(=O)O1.CCCC(O)O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

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
SCHEMBL22127287 0.85
Ethylene Glycol SCHEMBL11598890 0.82 TSHR (0.34) TSHR
1,4-Butanediol SCHEMBL11598479 0.80 TSHR (0.33) TSHR
SCHEMBL22127292 0.73 TSHR (0.31) TSHR
SCHEMBL16857600 0.72 TSHR (0.31) TSHR
SCHEMBL29221041 0.70
SCHEMBL16340956 0.70 PRKCA (0.33)
SCHEMBL16821946 0.69
SCHEMBL29270170 0.68 NAAA (0.38)
SCHEMBL8678715 0.68

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
US-4076742-A Anaerobic composition comprising oligocarbonateacrylates benzoyl peroxide and ferrocene BERLIN ALFRED ANISIMOVICH 1978-02-28 US disclosed