Butane

Butane

SCHEMBL28612846

CCCC.O=C1OCC(CO)O1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
CDC25B P30305 1/20 0.36
PRKCA P17252 6/20 0.35
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8917948 0.92
SCHEMBL47782 0.92
Oxirane SCHEMBL23581830 0.86 LMNA (0.31)
Methacrylic Acid SCHEMBL5597048 0.80 ALDH1A1 (0.34)
Methacrylic Acid SCHEMBL22204657 0.80 ALDH1A1 (0.34)
SCHEMBL164146 0.79
SCHEMBL2364933 0.79 MAOA (0.32)
SCHEMBL14498262 0.79
SCHEMBL13760470 0.79
SCHEMBL74916 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476178-B Rubber composition comprising a diene elastomer containing carbonate functions 米其林集团总公司 2021-08-10 CN disclosed