Isobutanol

Isobutanol

SCHEMBL7798112

CC(C)CO.CC(C)CO.CCCCCC[Al]

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
TSHR P16473 4/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 2/20 0.39
SPHK1 Q9NYA1 1/20 0.39
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39

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
Octane SCHEMBL27973378 0.87 TSHR (0.60) LMNATSHRALDH1A1MEN1KMT2A
Heptane SCHEMBL11043045 0.87 TSHR (0.60) LMNATSHRALDH1A1MEN1KMT2A
Decane SCHEMBL5449023 0.87 TSHR (0.60) LMNATSHRALDH1A1MEN1KMT2A
Isopropyl Alcohol SCHEMBL7798131 0.84 TSHR (0.44) LMNATSHRALDH1A1MEN1KMT2A
Alcohol SCHEMBL7798108 0.84 TSHR (0.53) LMNATSHRALDH1A1MEN1KMT2A
Heptane SCHEMBL23751339 0.84 TSHR (0.56) LMNATSHRALDH1A1MEN1KMT2A
Hexane SCHEMBL8099313 0.84 TSHR (0.64) LMNATSHRALDH1A1MEN1KMT2A
Hexane SCHEMBL4203459 0.84 TSHR (0.64) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL3632972 0.81 TSHR (0.61) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL5320549 0.81 TSHR (0.61) LMNATSHRALDH1A1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808849-B1 Process for the production of ethylenic polymers SHOWA DENKO KK (JP) 2001-12-19 EP disclosed
US-6011127-A CATALYST COMPRISING A CHROMIUM COMPOUND, AN ALUMOXANE AND AN ORGANOMETALLIC ALKOXIDE AND/OR ORGANOMETALLIC SILOXIDE AND A CARRIER SUPPORTING THEREON THESE COMPOUNDS. SHOWA DENKO K.K. (JP) 2000-01-04 US disclosed
EP-0808849-A1 Process for the production of ethylenic polymers SHOWA DENKO KABUSHIKI KAISHA (JP) 1997-11-26 EP disclosed