Butane

Butane

SCHEMBL9831053

CCCC.OB(O)F.OB(O)F.OB(O)F.OB(O)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.39
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
Alcohol SCHEMBL1567650 0.82 ALDH1A1 (0.55) ANPEPALDH1A1TSHR
Alcohol SCHEMBL8821832 0.82 ALDH1A1 (0.55) ANPEPALDH1A1TSHR
Alcohol SCHEMBL8123385 0.82 ALDH1A1 (0.55) ANPEPALDH1A1TSHR
Octane SCHEMBL21693642 0.81 TSHR (0.57) ANPEPALDH1A1TSHR
Butane SCHEMBL29022074 0.80
Butane SCHEMBL28597553 0.80 TSHR (0.44) ANPEPALDH1A1TSHR
Ethylamine SCHEMBL4363313 0.78 DNM1 (0.30) ANPEP
Ethylamine SCHEMBL7094676 0.78 DNM1 (0.30) ANPEP
Ethylamine SCHEMBL11705226 0.78 DNM1 (0.30) ANPEP
Ethylamine SCHEMBL6328365 0.78

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416091-B1 Catalytic transesterification of ester compounds with groups reactive under transesterification conditions SIRRUS, INC. (US) 2016-08-16 US disclosed
CN-1140533-C Method for producing phosphabenzene compounds �����ɷ� 2004-03-03 CN disclosed
CN-1272847-A Preparation of phosphabenzenes BASF AG (DE) 2000-11-08 CN disclosed
EP-0163238-B1 SUBSTITUTED AND BRIDGED PYRIDINES USEFUL AS PHARMACEUTICAL AGENTS MERCK & CO. INC. (US) 1991-07-24 EP disclosed
EP-0163238-A2 Substituted and bridged pyridines useful as pharmaceutical agents MERCK & CO. INC. (US) 1985-12-04 EP disclosed