Butanol

Butanol

SCHEMBL28875593

CC(O)C(N)CN.CCC(C)O

nearest known ligand 0.53

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALDH1A1 P00352 2/20 0.38
LAP3 P28838 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL94433 0.89
SCHEMBL15382459 0.89
SCHEMBL20011557 0.89
SCHEMBL19891916 0.89
Alcohol SCHEMBL8343316 0.86 ALDH1A1 (0.40) TSHRALDH1A1TDP1
SCHEMBL4667629 0.86
SCHEMBL28695589 0.86
Ammonia Solution, Strong SCHEMBL28225441 0.86
SCHEMBL4778159 0.86 ALDH1A1 (0.44) TSHRALDH1A1TDP1
Ethylenediamine SCHEMBL10630134 0.83 ALDH1A1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110152454-A It is a kind of for the ternary nonaqueous phase absorption system of collecting carbonic anhydride and its application 华侨大学 2019-08-23 CN claimed