Isobutane

Isobutane

SCHEMBL9414531

CC(C)C.NCCC(N)C(N)(N)N

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GABBR2 O75899 2/20 0.32
GABBR1 Q9UBS5 2/20 0.32

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
SCHEMBL166120 0.91
SCHEMBL10881994 0.88
Succinic Acid SCHEMBL8720920 0.83 GABRP (0.47) GABRR1ALDH1A1GABBR2GABBR1
SCHEMBL8626766 0.82 GABBR2 (0.33) GABRR1GABBR2GABBR1
Formic Acid SCHEMBL10573322 0.77 GABRR1 (0.30) GABRR1
SCHEMBL12498851 0.74
SCHEMBL2322898 0.72 GSR (0.41)
Acrylic Acid SCHEMBL14958549 0.71 LMNA (0.40) GABRR1
SCHEMBL6743203 0.71
SCHEMBL7902312 0.70 DNM1 (0.42)

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
EP-0579339-A1 Fuel products The Lubrizol Corporation (US) 1994-01-19 EP disclosed