Butane

Butane

SCHEMBL9870581

CCCC.CCCC(N)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.39
SPHK1 Q9NYA1 2/20 0.39
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 2/20 0.36
TP53 P04637 2/20 0.36
GMNN O75496 1/20 0.36
POLB P06746 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CETP P11597 1/20 0.36
HTT P42858 1/20 0.36
UBE2N P61088 1/20 0.36
GRIK1 P39086 1/20 0.36
SLC1A3 P43003 1/20 0.36

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
SCHEMBL28944007 0.97
SCHEMBL14964219 0.97
SCHEMBL133123 0.97
SCHEMBL8570780 0.93
Hydrochloric Acid SCHEMBL9221283 0.93
Bromide SCHEMBL20499886 0.93
Water SCHEMBL7046666 0.93
Ammonia Solution, Strong SCHEMBL28193932 0.93
SCHEMBL9840811 0.90 LMNA (0.40) METAP1SPHK1TSHRLMNACYP2D6
Trimethylammonium SCHEMBL27932181 0.88 METAP1 (0.36) METAP1SPHK1TSHRLMNACYP2D6

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-5043392-A Using halogenated rubber ; containing tertiary amine alcohol POLYSAR LIMITED (CA) 1991-08-27 US disclosed
EP-0393944-A2 Toughened thermoplastics POLYSAR LIMITED (CA) 1990-10-24 EP disclosed
US-4921910-A AMINOALCOHOL DERIVATIVE AS COMPATIBILIZER, MALEIC ANHYDRIDE GRAFT POLYMER POLYSAR LIMITED (CA) 1990-05-01 US disclosed