Isobutane

Isobutane

SCHEMBL29280324

CC(C)C.O=CO.O=CO

nearest known ligand 0.35

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.35
ADH1C P00326 2/20 0.35
ADH1A P07327 2/20 0.35
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 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
Isobutane SCHEMBL29090726 1.00 ADH1B (0.35) ADH1BADH1CADH1ATSHRALDH1A1
Isobutane SCHEMBL28997379 0.95 ADH1B (0.33) ADH1BADH1CADH1ATSHRALDH1A1
Isobutane SCHEMBL29066127 0.95 ADH1B (0.33) ADH1BADH1CADH1ATSHRALDH1A1
Formic Acid SCHEMBL1704314 0.86
Isopropyl Alcohol SCHEMBL5771119 0.86
Formic Acid SCHEMBL23529437 0.86
Formic Acid SCHEMBL10587390 0.86
Formic Acid SCHEMBL417859 0.84
Isopropylamine SCHEMBL1489167 0.82
Isobutyraldehyde SCHEMBL2703766 0.82

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-115175901-B Compounds and methods for targeted degradation of androgen receptor 阿尔维纳斯运营股份有限公司 2024-03-22 CN disclosed