3-Methylbutanol

3-Methylbutanol

SCHEMBL901083

CC(C)CCO.CC(C)CCO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.39
THRB P10828 1/20 0.39
CA1 P00915 3/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
DPP4 P27487 1/20 0.35
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
TRPA1 O75762 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GBA1 P04062 1/20 0.31
PTPN1 P18031 1/20 0.31
BLM P54132 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
3-Methylbutanol SCHEMBL8407955 1.00 TSHR (0.50) TSHRALDH1A1THRBCA1ALOX15
3-Methylbutanol SCHEMBL12054 1.00
3-Methylbutanol SCHEMBL29788772 0.96
3-Methylbutanol SCHEMBL4806376 0.96
3-Methylbutanol SCHEMBL29158235 0.96 TSHR (0.47) TSHRALDH1A1THRBCA1ALOX15
3-Methylbutanol SCHEMBL8463763 0.96
3-Methylbutanol SCHEMBL18229919 0.96
3-Methylbutanol SCHEMBL4323028 0.96
3-Methylbutanol SCHEMBL3892823 0.96
3-Methylbutanol SCHEMBL29788743 0.96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11062794-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-07-13 US disclosed
CN-106191106-B VvSUC27 gene is promoting the application in the extraneous sucrose of plant intake 中国农业大学 2019-10-18 CN disclosed
US-20180253534-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-09-06 US disclosed
EP-2788496-A1 METHOD OF DIAGNOSING PNEUMONIA BY DETECTING A VOLATILE ORGANIC COMPOUND Meon Medical Solutions GmbH & Co. KG (AT) 2014-10-15 EP disclosed
EP-2764110-A1 METHOD FOR THE SIMULTANEOUS PRODUCTION OF ETHANOL AND A FERMENTED, SOLID PRODUCT Hamlet Protein A/S (DK) 2014-08-13 EP disclosed
EP-2621462-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR The Procter and Gamble Company (US) 2013-08-07 EP disclosed
WO-2013083518-A1 METHOD OF DIAGNOSING PNEUMONIA BY DETECTING A VOLATILE ORGANIC COMPOUND MEON MEDICAL SOLUTIONS GMBH & COKG (AT) 2013-06-13 WO disclosed
WO-2013050456-A1 METHOD FOR THE SIMULTANEOUS PRODUCTION OF ETHANOL AND A FERMENTED, SOLID PRODUCT HAMLET PROTEIN A/S (DK) 2013-04-11 WO disclosed
WO-2013035070-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-03-14 WO disclosed
WO-2012044728-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed