SCHEMBL7854010

SCHEMBL7854010

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nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL7855371 0.87 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7834471 0.79
SCHEMBL7853631 0.74 TSHR (0.37)
SCHEMBL21159999 0.72
SCHEMBL1974906 0.67
SCHEMBL11782247 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11940578 0.64
SCHEMBL13028705 0.64
SCHEMBL11940552 0.64
SCHEMBL11654929 0.63

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686613-B1 OZONIDE REDUCING AGENT OTSUKA KAGAKU KK (JP) 2001-11-14 EP disclosed
US-5770729-A SULFIDE COMPOUND WITH POLAR SUBSTITUENTS, FORMATION OF SULFOXIDE, MILD CONDITIONS, SAFE, NONPOLLUTING OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1998-06-23 US disclosed
EP-0686613-A1 OZONIDE REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed