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SCHEMBL18535484

SCHEMBL18535484

CCOC(=O)CCSP(=S)(OC(C)C)OC(C)CSP(=S)(OC(C)CSP(OC(C)C)OC(C)C)OC(C)CSP(=S)(OC(C)C)OC(C)C

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL17680101 0.90 ALDH1A1 (0.36) ALDH1A1CYP3A4CHRM1ALOX15ADORA1
SCHEMBL18193185 0.90 ALDH1A1 (0.36) ALDH1A1CYP3A4CHRM1ALOX15ADORA1
SCHEMBL18193232 0.90 ALDH1A1 (0.36) ALDH1A1CYP3A4CHRM1ALOX15ADORA1
SCHEMBL23809604 0.87 ALDH1A1 (0.32) ALDH1A1CYP3A4CHRM1ALOX15ADORA1
SCHEMBL18193241 0.85 ALDH1A1 (0.33) ALDH1A1CYP3A4CHRM1ALOX15ADORA1
SCHEMBL18535329 0.85 ALDH1A1 (0.30) ALDH1A1
SCHEMBL23809607 0.84 ALDH1A1 (0.30) ALDH1A1CYP3A4CHRM1ALOX15ADORA1
SCHEMBL18193187 0.82 ALDH1A1 (0.35) ALDH1A1CYP3A4CHRM1ALOX15ADORA1
SCHEMBL135547 0.82 ALDH1A1 (0.41) ALDH1A1CYP3A4CHRM1ALOX15ADORA1
SCHEMBL18306211 0.81 ALDH1A1 (0.31) ALDH1A1CYP3A4CHRM1ALOX15ADORA1

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-3133077-A1 PHOSPHOROUS CONTAINING COMPOUNDS AND USES THEREOF Afton Chemical Corporation (US) 2017-02-22 — — EP disclosed