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Sugi Predict / Compounds / Demeton S

Demeton S

Demeton S

SCHEMBL9344632

CCOP(=O)(OCC)SCCSCC.Oc1ccc(O)cc1

nearest known ligand 0.50

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
Demeton S SCHEMBL17373609 0.89 HSD17B3 (0.39) ALDH1A1CYP3A4HSD17B10
Demeton S SCHEMBL117918 0.86 ALDH1A1 (0.59) ALDH1A1CYP3A4HSD17B10
Demeton S SCHEMBL6732303 0.86 ALDH1A1 (0.59) ALDH1A1CYP3A4HSD17B10
Demeton S SCHEMBL11353108 0.80 ACHE (0.45) —
Demeton S SCHEMBL11351352 0.80 ALDH1A1 (0.49) ALDH1A1CYP3A4HSD17B10
Demeton S SCHEMBL20544186 0.80 ALDH1A1 (0.52) ALDH1A1CYP3A4HSD17B10
Demeton S SCHEMBL7254122 0.80 ALDH1A1 (0.52) ALDH1A1CYP3A4HSD17B10
Demeton S SCHEMBL6547261 0.79 NPSR1 (0.47) —
Demeton S SCHEMBL10519618 0.79 ALDH1A1 (0.47) ALDH1A1CYP3A4HSD17B10
Demeton S SCHEMBL11368667 0.77 ALDH1A1 (0.49) ALDH1A1CYP3A4HSD17B10

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-0599994-A1 PROCESS FOR THE PREPARATION OF PHENYLHYDROQUINONE EASTMAN KODAK COMPANY (US) 1994-06-08 — — EP disclosed
WO-1993004027-A1 PROCESS FOR THE PREPARATION OF PHENYLHYDROQUINONE EASTMAN KODAK COMPANY (US) 1993-03-04 — — WO disclosed