Butane

Butane

SCHEMBL9754785

CCCC.O=C(O)OC(=O)S.O=C(O)OC(=O)S.O=C(O)OC(=O)S.O=C(O)OC(=O)S.O=C(O)OC(=O)S.O=C(O)OC(=O)S

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.40
ALDH1A1 P00352 2/20 0.38
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
SOAT1 P35610 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
AKR1B1 P15121 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
SCHEMBL259096 0.85
Butane SCHEMBL5064963 0.82 FFAR3 (0.50) FFAR3ALDH1A1HDAC1HDAC2HDAC3
Butane SCHEMBL8822263 0.82 FFAR3 (0.50) FFAR3ALDH1A1HDAC1HDAC2HDAC3
Ammonia Solution, Strong SCHEMBL9146125 0.82
Butane SCHEMBL9442813 0.82 FFAR3 (0.50) FFAR3ALDH1A1HDAC1HDAC2HDAC3
Butane SCHEMBL10901195 0.82 FFAR3 (0.50) FFAR3ALDH1A1HDAC1HDAC2HDAC3
Butane SCHEMBL5064974 0.79 FFAR3 (0.47) FFAR3ALDH1A1HDAC1HDAC2HDAC3
Butane SCHEMBL9754798 0.75 FFAR3 (0.47) FFAR3ALDH1A1HDAC1HDAC2HDAC3
Butane SCHEMBL2067462 0.74 SOAT1 (0.46) FFAR3ALDH1A1HDAC1HDAC2HDAC3
Butane SCHEMBL10738739 0.73 FFAR3 (0.40) FFAR3ALDH1A1HDAC1HDAC2HDAC3

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
WO-1991013551-A1 PELLETIZED THIOCARBONATES FOR SOIL TREATMENT UNION OIL COMPANY OF CALIFORNIA (US) 1991-09-19 WO disclosed