Butane

Butane

SCHEMBL3412875

CCC(C)(C)N.CCCC

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
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
SCHEMBL1725 0.91
Methane SCHEMBL16107120 0.87
Methylamine SCHEMBL22830451 0.87
SCHEMBL15821668 0.87
Bromide SCHEMBL1566230 0.87
Ammonia Solution, Strong SCHEMBL851616 0.87
Hydrochloric Acid SCHEMBL358299 0.87
Water SCHEMBL187548 0.87
Hydrochloric Acid SCHEMBL15112570 0.87 TSHR (0.46) TSHRTDP1ALDH1A1
Iodide SCHEMBL27531970 0.87

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-2265617-B1 SOLVENTS BIONIQS LTD (GB) 2014-07-02 EP disclosed
EP-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 EP disclosed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 WO disclosed