Butane

Butane

SCHEMBL11141899

CCCC.O=C(O)c1ccc2c(c1)C(=O)OC2=O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.53
▸ TTR P02766 3/20 0.51
▸ CA12 O43570 5/20 0.51
▸ CA7 P43166 5/20 0.51
▸ CA1 P00915 4/20 0.51
▸ CA4 P22748 2/20 0.51
▸ PTPRC P08575 2/20 0.50
▸ CA2 P00918 2/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CDC25A P30304 1/20 0.43
▸ CDC25B P30305 1/20 0.43

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
Propane SCHEMBL11661805 0.95 POLB (0.54) POLBTTRCA12CA7CA1
Alcohol SCHEMBL8616428 0.93 POLB (0.53) POLBTTRCA12CA7CA1
SCHEMBL29355829 0.91 TTR (0.60) POLBTTRCA12CA7CA1
SCHEMBL1080970 0.91 TTR (0.60) POLBTTRCA12CA7CA1
SCHEMBL22458 0.91 TTR (0.60) POLBTTRCA12CA7CA1
Acetic Acid SCHEMBL22444417 0.89 TTR (0.55) POLBTTRCA12CA7CA1
Bromide SCHEMBL8174305 0.89 TTR (0.58) POLBTTRCA12CA7CA1
Ammonia Solution, Strong SCHEMBL5833624 0.89 TTR (0.58) POLBTTRCA12CA7CA1
Hydrochloric Acid SCHEMBL125545 0.89 TTR (0.58) POLBTTRCA12CA7CA1
Hydrochloric Acid SCHEMBL29206176 0.89 TTR (0.58) POLBTTRCA12CA7CA1

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
US-4412034-A POLYESTER, CURING AGENT, AND ACID SALT CATALYSTS CHLOE CHIMIE (FR) 1983-10-25 — — US disclosed
US-4284745-A EPOXIDE RESIN, ACID OR ANHYDRIDE CURING AGENT, METAL CATALYST RHONE-POULENC INDUSTRIES (FR) 1981-08-18 — — US disclosed
US-4182840-A POLYESTERS, CROSSLINKING CARBOXY ACID OR ANHYDRIDE, METAL SALT OF CARBOXY ACID OR ACETYLACETONE RHONE-POULENC INDUSTRIES (FR) 1980-01-08 — — US disclosed
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