SCHEMBL14940896

SCHEMBL14940896

CNc1c(C)ccc(OB(O)O)c1O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 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
Boric Acid SCHEMBL14940895 0.73 TRPA1 (0.37) ALDH1A1
SCHEMBL27984949 0.71 ALDH1A1 (0.54) ALDH1A1
SCHEMBL28159375 0.69 ESR2 (0.38) ALDH1A1
SCHEMBL14940656 0.69 ALDH1A1 (0.35) ALDH1A1
SCHEMBL5892479 0.69 TRPA1 (0.34) —
SCHEMBL31629381 0.69 TRPA1 (0.34) —
Phosphine SCHEMBL27540245 0.67 NCEH1 (0.33) —
Phosphine SCHEMBL27540246 0.67 NCEH1 (0.33) —
SCHEMBL28939707 0.65 HIF1A (0.35) ALDH1A1
SCHEMBL5224007 0.64 CYP1A2 (0.52) ALDH1A1

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-20140193587-A1 METHODS OF TREATING WOOD WITH PRESERVATIVES USING SUPERCRITICAL NOBLE GASES EMPIRE TECHNOLOGY DEVELOPMENT LLC 2014-07-10 — — US disclosed
WO-2013070196-A2 METHODS OF TREATING WOOD WITH PRESERVATIVES USING SUPERCRITICAL NOBLE GASES EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2013-05-16 — — WO disclosed
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