SCHEMBL5403667

SCHEMBL5403667

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nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 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
SCHEMBL5403670 1.00 TRPA1 (0.32) TRPA1
Ethylamine SCHEMBL6667405 0.91
Ethylamine SCHEMBL6667408 0.91
SCHEMBL19509684 0.87
SCHEMBL20010291 0.79
SCHEMBL18287031 0.76 ALDH1A1 (0.38)
SCHEMBL516460 0.73
SCHEMBL516459 0.73
SCHEMBL283617 0.72 TRPA1 (0.35) TRPA1
SCHEMBL283618 0.72 TRPA1 (0.35) TRPA1

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-7161039-B2 Method and device for producing ethylamine and butylamine BASF AKTIENGESELLSCHAFT (DE) 2007-01-09 US disclosed
US-20050124832-A1 Method and device for producing ethylamine and butylamine BASF AKTIENGESELLSCHAFT (DE) 2005-06-09 US disclosed