Isobutanol

Isobutanol

SCHEMBL3400728

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

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 2/20 0.44
▸ TSHR P16473 2/20 0.43
▸ DGAT1 O75907 1/20 0.38
▸ MMP8 P22894 1/20 0.36
▸ MME P08473 2/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ ELANE P08246 3/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KCNN4 O15554 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
SCHEMBL4328011 0.82 — —
SCHEMBL15139 0.82 — —
Hydrochloric Acid SCHEMBL13717027 0.79 — —
Ammonia Solution, Strong SCHEMBL243818 0.79 — —
Iodide SCHEMBL9839224 0.79 — —
Phosphine SCHEMBL27995477 0.79 — —
Water SCHEMBL27758980 0.79 — —
Methylene Chloride SCHEMBL8321931 0.77 DGAT1 (0.42) PRKCATSHRDGAT1ELANEKCNN4
Bicarbonate SCHEMBL27494800 0.76 DGAT1 (0.46) PRKCATSHRDGAT1ELANEKCNN4
Ethylenediamine SCHEMBL27703572 0.75 DGAT1 (0.41) PRKCATSHRDGAT1ELANEKCNN4

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-2250208-A1 THERMOSETTING POLYESTER RESIN MODIFIED WITH SEMI-CRYSTALLINE POLYESTER FOR POWDER COATINGS Hexion Specialty Chemicals Research Belgium S.A. (BE) 2010-11-17 — — EP disclosed
WO-2009109313-A1 THERMOSETTING POLYESTER RESIN MODIFIED WITH SEMI-CRYSTALLINE POLYESTER FOR POWDER COATINGS HEXION SPECIALTY CHEMICALS RESEARCH BELGIUM S.A. (BE) 2009-09-11 — — WO disclosed
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