Butane

Butane

SCHEMBL9508625

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

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.31
SLC7A5 Q01650 1/20 0.30

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
Butane SCHEMBL124309 1.00 TSHR (0.45) TSHRALDH1A1THRBTDP1LMNA
Butane SCHEMBL716673 0.96 TSHR (0.42) TSHRALDH1A1THRBTDP1
Propane SCHEMBL29190806 0.94 TSHR (0.47) TSHRALDH1A1THRBTDP1SLC7A5
SCHEMBL111244 0.91
Hydrochloric Acid SCHEMBL1344129 0.89 TSHR (0.45) TSHRALDH1A1THRBTDP1SLC7A5
Bromide SCHEMBL4441945 0.89 TSHR (0.45) TSHRALDH1A1THRBTDP1SLC7A5
Ammonia Solution, Strong SCHEMBL22612066 0.89 TSHR (0.45) TSHRALDH1A1THRBTDP1SLC7A5
Hydrochloric Acid SCHEMBL28562796 0.89 TSHR (0.45) TSHRALDH1A1THRBTDP1SLC7A5
Acetic Acid SCHEMBL10585011 0.87 TSHR (0.43) TSHRALDH1A1THRBTDP1SLC7A5
Chloromethane SCHEMBL5583237 0.87 TSHR (0.43) TSHRALDH1A1THRBTDP1SLC7A5

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-0294097-B1 DEVELOPING DEVICE FOR USE IN ELECTROPHOTOGRAPHY KONICA CORPORATION (JP) 1993-07-21 EP disclosed
EP-0294097-A2 Developing device for use in electrophotography KONICA CORPORATION (JP) 1988-12-07 EP disclosed