SCHEMBL172716

SCHEMBL172716

COCC1OCC(OC(C)=O)O1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL17541960 0.86 TSHR (0.39) TSHRALDH1A1
SCHEMBL14864519 0.86 TSHR (0.39) TSHRALDH1A1
SCHEMBL17542314 0.82 TSHR (0.41) TSHRALDH1A1
SCHEMBL19361252 0.82 TSHR (0.41) TSHRALDH1A1
SCHEMBL12535585 0.82 TSHR (0.41) TSHRALDH1A1
SCHEMBL13764558 0.82 TSHR (0.41) TSHRALDH1A1
SCHEMBL12535590 0.82 TSHR (0.41) TSHRALDH1A1
SCHEMBL171065 0.82 TSHR (0.41) TSHRALDH1A1
SCHEMBL1932413 0.81 TSHR (0.35) TSHRALDH1A1
SCHEMBL9918047 0.81 TSHR (0.35) TSHRALDH1A1

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
EP-1467990-B1 PROCESS FOR PRODUCING DIOXOLANE NUCLEOSIDE ANALOGUE PRECURSORS SHIRE BIOCHEM INC (CA) 2012-03-07 EP disclosed