Butane

Butane

SCHEMBL10411892

CC(C)=CCO[PH](=O)O.CCCC

nearest known ligand 0.34

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.34
NOS1 P29475 1/20 0.30

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
SCHEMBL2459793 0.93
SCHEMBL2459790 0.77 BTN3A1 (0.39) BTN3A1NOS1
SCHEMBL29748905 0.76 ALDH1A1 (0.58)
Butane SCHEMBL2150699 0.76 TSHR (0.37)
SCHEMBL3657151 0.76
SCHEMBL27740873 0.75 ALDH1A1 (0.56)
Ethyl Hydrogen Phosphonate SCHEMBL26482 0.73 ALDH1A1 (0.32)
SCHEMBL11496359 0.72
SCHEMBL31166044 0.71 ALDH1A1 (0.51)
SCHEMBL31166045 0.71 ALDH1A1 (0.51)

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
US-4904815-A PHENOLS WITH ESTER, ACID OR AMIDE FUNCTIONAL GROUPS, STABILIZERS FOR AQUEOUS OR ORGANIC SYSTEMS CIBA-GEIGY AG (CH) 1990-02-27 US disclosed