Butane

Butane

SCHEMBL9563115

C=CC(=O)OCCO.CCCC

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.83
HPGD P15428 1/20 0.67
ALDH1A1 P00352 5/20 0.56
TP53 P04637 3/20 0.56
HIF1A Q16665 3/20 0.56
CYP3A4 P08684 2/20 0.56
HSD17B10 Q99714 1/20 0.56
THRB P10828 4/20 0.50
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 1/20 0.43
ACHE P22303 1/20 0.41
HCAR2 Q8TDS4 4/20 0.41
MGLL Q99685 1/20 0.38

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
SCHEMBL9488445 0.94 TSHR (0.79) TSHRHPGDALDH1A1TP53HIF1A
Alcohol SCHEMBL28276836 0.93 TSHR (0.86) TSHRHPGDALDH1A1TP53HIF1A
Hexane SCHEMBL8110181 0.92 TSHR (0.76) TSHRHPGDALDH1A1TP53HIF1A
Methyl Alcohol SCHEMBL28276837 0.91 TSHR (0.91) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30363554 0.91 TSHR (1.00) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21630258 0.91 TSHR (1.00) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14875 0.91
SCHEMBL1088660 0.90 TSHR (0.85) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL3693882 0.89 TSHR (0.79) TSHRHPGDALDH1A1TP53HIF1A
Propene SCHEMBL10529480 0.89 TSHR (0.86) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296878-B1 MODIFIED POLYSILOXANE-COATED SANITARY RUBBER ARTICLE AND PROCESS FOR ITS PRODUCTION DAIKYO GOMU SEIKO LTD. (JP) 1993-09-01 EP disclosed
US-5114794-A Coatings for medical equipment and drug containers for biological injections; adhesion; bonding strength DAIKYO GOMU SEIKO LTD. (JP) 1992-05-19 US disclosed
US-5110621-A Radiation with electrons, lasers, or ultraviolet rays to bond DAIKYO GOMU SEIKO LTD. (JP) 1992-05-05 US disclosed
EP-0296878-A2 Modified polysiloxane-coated sanitary rubber article and process for its production DAIKYO GOMU SEIKO LTD. (JP) 1988-12-28 EP disclosed
EP-0257812-A2 Nitrile acrylate coating composition containing pendant functionality and a radiation curable process THE STANDARD OIL COMPANY (US) 1988-03-02 EP disclosed
EP-0245561-A2 Nitrile acrylate radiation curable coating compositions and the process of making the same THE STANDARD OIL COMPANY (US) 1987-11-19 EP disclosed