Butane

Butane

SCHEMBL9340672

C=CC(=O)OCC1CO1.CCCC

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TSHR P16473 7/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 3/20 0.43
CYP3A4 P08684 2/20 0.43
MGLL Q99685 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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 SCHEMBL3593621 0.95 ALDH1A1 (0.53) ALDH1A1TSHRHPGDTP53CYP3A4
Hydroxyl Radical SCHEMBL28098760 0.94 ALDH1A1 (0.52) ALDH1A1TSHRHPGDTP53CYP3A4
Alcohol SCHEMBL1735139 0.93 ALDH1A1 (0.51) ALDH1A1TSHRHPGDTP53CYP3A4
Ethane SCHEMBL1932261 0.93 ALDH1A1 (0.55) ALDH1A1TSHRHPGDTP53CYP3A4
SCHEMBL15082542 0.93
SCHEMBL29850839 0.93 ALDH1A1 (0.53) ALDH1A1TSHRHPGDTP53CYP3A4
SCHEMBL17692 0.93
Acrylic Acid Ethyl Ester SCHEMBL8159117 0.91 ALDH1A1 (0.50) ALDH1A1TSHRHPGDTP53CYP3A4
Acetone SCHEMBL20503787 0.91 ALDH1A1 (0.58) ALDH1A1TSHRHPGDTP53CYP3A4
Propene SCHEMBL5971864 0.91 ALDH1A1 (0.53) ALDH1A1TSHRHPGDTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0456746-B1 CROSSLINKED HALOGEN-CONTAINING POLYMER NORSK HYDRO TECHNOLOGY (NL) 1994-06-01 EP disclosed
US-5191019-A Vinyl chloride-glycidyl (meth)acrylate copolymer crosslinked with silane, heat resistance NORSK HYDRO A.S. (NO) 1993-03-02 US disclosed