Butane

Butane

SCHEMBL3012832

CCCC.O=C(O)c1cocc1C(=O)O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
DHODH Q02127 1/20 0.36
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOTUM Q6P988 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
TP53 P04637 1/20 0.34
GABRP O00591 2/20 0.34

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
SCHEMBL36897 0.87 ALDH1A1 (0.45) LDHAALDH1A1ALOX15CYP1A2TSHR
Hydrochloric Acid SCHEMBL11203129 0.84 ALDH1A1 (0.43) LDHAALDH1A1ALOX15CYP1A2TDP1
Hydrochloric Acid SCHEMBL7231265 0.84 ALDH1A1 (0.43) LDHAALDH1A1ALOX15CYP1A2TDP1
SCHEMBL11574505 0.84 ALDH1A1 (0.43) LDHAALDH1A1ALOX15CYP1A2TSHR
Ethylene Glycol SCHEMBL25435561 0.82 LDHA (0.38) LDHAALDH1A1ALOX15DHODHCYP1A2
SCHEMBL11082629 0.79 TSHR (0.52) ALDH1A1TSHRL3MBTL1CA12CA1
1,3-Propanediol SCHEMBL28693826 0.78 HTT (0.37) LDHAALDH1A1ALOX15DHODHCYP1A2
1,4-Butanediol SCHEMBL25433697 0.78 GPR84 (0.37) LDHAALDH1A1ALOX15DHODHCYP1A2
SCHEMBL28250610 0.78 TSHR (0.57) ALDH1A1CYP1A2TDP1TSHRPOLB
Hydrochloric Acid SCHEMBL11087826 0.78 TSHR (0.50) ALDH1A1TSHRL3MBTL1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102793-B2 Polyester resin, method of producing the same, composition for molded article and molded article CANON KABUSHIKI KAISHA (JP) 2015-08-11 US disclosed
US-20130225784-A1 POLYESTER RESIN, METHOD OF PRODUCING THE SAME, COMPOSITION FOR MOLDED ARTICLE AND MOLDED ARTICLE CANON KABUSHIKI KAISHA (JP) 2013-08-29 US disclosed
CN-101945919-B Polyester resin, method of producing the same, composition for molded article and molded article CANON KK 2013-06-12 CN disclosed
US-8420769-B2 Polyester resin, method of producing the same, composition for molded article and molded article CANON KABUSHIKI KAISHA (JP) 2013-04-16 US disclosed
EP-2252645-B1 POLYESTER RESIN, METHOD OF PRODUCING THE SAME, COMPOSITION FOR MOLDED ARTICLE AND MOLDED ARTICLE CANON KK (JP) 2012-08-08 EP disclosed
EP-2252645-A1 POLYESTER RESIN, METHOD OF PRODUCING THE SAME, COMPOSITION FOR MOLDED ARTICLE AND MOLDED ARTICLE Canon Kabushiki Kaisha (JP) 2010-11-24 EP disclosed
US-20100174044-A1 POLYESTER RESIN, METHOD OF PRODUCING THE SAME, COMPOSITION FOR MOLDED ARTICLE AND MOLDED ARTICLE CANON KABUSHIKI KAISHA (JP) 2010-07-08 US disclosed
WO-2009104780-A1 POLYESTER RESIN, METHOD OF PRODUCING THE SAME, COMPOSITION FOR MOLDED ARTICLE AND MOLDED ARTICLE CANON KABUSHIKI KAISHA (JP) 2009-08-27 WO disclosed