Butane

Butane

SCHEMBL28292472

CCCC.CCCCC(=O)OC

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.70
CA12 O43570 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
EPHX2 P34913 1/20 0.49
POLB P06746 1/20 0.48
POLA1 P09884 1/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
DGKA P23743 1/20 0.48
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM5A P29375 1/20 0.44

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
SCHEMBL11895200 0.97 TSHR (0.74) TSHRCA12CA14CES2CES1
SCHEMBL51016 0.97
SCHEMBL27976583 0.95
Water SCHEMBL27663607 0.95
SCHEMBL27442936 0.95
SCHEMBL23358382 0.95
Ammonia Solution, Strong SCHEMBL28030571 0.95
SCHEMBL6907380 0.95
Hydrochloric Acid SCHEMBL27352649 0.95
SCHEMBL28159655 0.95

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
CN-109952360-A Quantum dot dispersion liquid, self-luminous photosensitive polymer combination, the colour filter and image display device manufactured using it 东友精细化工有限公司 2019-06-28 CN disclosed
CN-109810589-A Light converts resin combination, light conversion layer folds substrate and image display device 东友精细化工有限公司 2019-05-28 CN disclosed