Butane

Butane

SCHEMBL9320784

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

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
Butane SCHEMBL729837 0.92
Butane SCHEMBL472717 0.92 CES2 (0.35) CES2CES1FFAR3HDAC3HDAC1
Butane SCHEMBL11209036 0.92 CES2 (0.35) CES2CES1FFAR3HDAC3HDAC1
Butane SCHEMBL28286125 0.88
Benzene SCHEMBL14836869 0.81 FFAR3 (0.35) CES2CES1FFAR3HDAC3HDAC1
Butane SCHEMBL9400059 0.80
Phosphonic Acid SCHEMBL8445453 0.79 ALDH1A1 (0.33) FFAR3
Phosphonic Acid SCHEMBL7230 0.79
Phosphonic Acid SCHEMBL3793734 0.79 ALDH1A1 (0.33) FFAR3
Phosphonic Acid SCHEMBL1768257 0.79 ALDH1A1 (0.33) FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5358653-A Continuous organic solid phase of low foaming polyoxyalkylene surfactant, encapsulate layer and core of active chlorine compound ECOLAB, INC. (US) 1994-10-25 US disclosed
EP-0244584-B1 COOLING WATER CORROSION INHIBITION COMPOSITION NALCO CHEMICAL COMPANY (US) 1992-07-29 EP disclosed
EP-0238728-B1 CORROSION INHIBITING NALCO CHEMICAL COMPANY (US) 1990-08-29 EP disclosed
US-4929425-A ACRYLAMIDE COPOLYMERS, INORGANIC PHOSPHATES, ORGANIC PHOSPHONATES NALCO CHEMICAL COMPANY (US) 1990-05-29 US disclosed
US-4923634-A MALEIC ANHYDRIDE POLYMER DERIVATIVES, PHOSPHATE NALCO CHEMICAL COMPANY (US) 1990-05-08 US disclosed
US-4846993-A ACRYLIC ACID POLYMERS AND SODIUM SALTS, BUILDERS ECOLAB INC. (US) 1989-07-11 US disclosed
US-4752443-A INORGANIC PHOSPHATE, SULFONIC ACID-SUBSTITUTED ACRYLAMIDE POLYMER NALCO CHEMICAL COMPANY (US) 1988-06-21 US disclosed
US-4744949-A ACRYLIC ACID, METHACRYLIC ACID, TERT-BUTYLACRYLAMIDE POLYMERS NALCO CHEMICAL COMPANY (US) 1988-05-17 US disclosed
US-4735787-A TALL COATING NALCO CHEMICAL COMPANY (US) 1988-04-05 US disclosed
EP-0244584-A2 Cooling water corrosion inhibition composition NALCO CHEMICAL COMPANY (US) 1987-11-11 EP disclosed
US-4680124-A Polyacrylate scale inhibition NALCO CHEMICAL COMPANY (US) 1987-07-14 US disclosed
EP-0033417-B1 METHOD OF AND COMPOSITION FOR INHIBITING CORROSION BETZ EUROPE, INC. (US) 1985-06-05 EP disclosed
US-4303568-A ACRYLIC ACID-HYDROXYALKYL ACRYLATE COPOLYMER AND A WATER SOLUBLE PHOSPHATE BETZ LABORATORIES, INC. (US) 1981-12-01 US disclosed
EP-0033417-A1 Method of and composition for inhibiting corrosion BETZ EUROPE, INC. (US) 1981-08-12 EP disclosed