Butylamine

Butylamine

SCHEMBL1077641

CCCC[NH3+].Cc1cc(C)cc([B-](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1

nearest known ligand 0.37

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.37
NOS2 P35228 1/20 0.32
CNR2 P34972 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
SCHEMBL134269 0.78 NOS2 (0.31) NOS2CNR2
SCHEMBL473252 0.76 ALDH1A1 (0.44)
Potassium Ion SCHEMBL135861 0.74 ALDH1A1 (0.42)
SCHEMBL133867 0.74 ALDH1A1 (0.42)
Lithium Ion SCHEMBL132330 0.74 ALDH1A1 (0.42)
Butylamine SCHEMBL628202 0.73 CYP3A4 (0.36) DNM1
SCHEMBL813720 0.73 DNM1 (0.39) DNM1CNR2
Butylamine SCHEMBL627676 0.72 DNM1 (0.39) DNM1
SCHEMBL8452416 0.71 ALDH1A1 (0.32)
Hexane SCHEMBL28262924 0.71 TSHR (0.47) NOS2CNR2

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-2275451-A2 Method for producing propylene-based copolymer Mitsui Chemicals, Inc. (JP) 2011-01-19 EP disclosed
EP-1661921-A1 Synthetic lubricating oil and lubricating oil composition thereof Mitsui Chemicals, Inc. (JP) 2006-05-31 EP disclosed