Butane

Butane

SCHEMBL6552264

CCC(C)C.CCCC.CNC.N

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
Dimethylamine SCHEMBL9679950 0.89
Butane SCHEMBL6244668 0.84
Ammonia Solution, Strong SCHEMBL24170 0.80
Ammonia Solution, Strong SCHEMBL4222522 0.80
Hydrochloric Acid SCHEMBL9308564 0.76
Bromide SCHEMBL27822398 0.76
Butane SCHEMBL3052765 0.76
SCHEMBL8157971 0.76 TSHR (0.50) TSHR
SCHEMBL891350 0.76 TSHR (0.50) TSHR
SCHEMBL6323 0.76

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-1485496-A2 DERACEMISATION OF AMINES GLAXO GROUP LIMITED (GB) 2004-12-15 EP disclosed
WO-2003080855-A2 DERACEMISATION OF AMINES GLAXO GROUP LIMITED (GB) 2003-10-02 WO disclosed