Isobutanol

Isobutanol

SCHEMBL175952

CC(C)CO.CC(C)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 1.00
TDP1 Q9NUW8 3/20 0.58
ALDH1A1 P00352 7/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.33
CA2 P00918 1/20 0.32
MAPK1 P28482 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
Isobutanol SCHEMBL969 1.00
Isobutanol SCHEMBL11800894 1.00 TSHR (1.00) TSHRTDP1ALDH1A1LMNAL3MBTL1
Isobutanol SCHEMBL14991373 0.95
Isobutanol SCHEMBL60555 0.95
Isobutanol SCHEMBL3991778 0.95
Isobutanol SCHEMBL23672280 0.95
Isobutanol SCHEMBL11366415 0.95
Isobutanol SCHEMBL9759733 0.95 TSHR (0.90) TSHRTDP1ALDH1A1LMNAL3MBTL1
Isobutanol SCHEMBL23887407 0.95
Isobutanol SCHEMBL2277484 0.95

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598660-B1 COMPOSITIONS FOR STABILIZING DNA, RNA AND PROTEINS IN BLOOD AND OTHER BIOLOGICAL SAMPLES DURING SHIPPING AND STORAGE AT AMBIENT TEMPERATURES BIOMATRICA INC (US) 2017-03-15 EP claimed
US-20230227810-A1 METHODS FOR GENERATING BARCODED COMBINATORIAL LIBRARIES UNITED STATES DEPARTMENT OF ENERGY 2023-07-20 US disclosed
US-11584928-B2 Methods for generating barcoded combinatorial libraries THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2023-02-21 US disclosed
US-20190194650-A1 METHODS FOR GENERATING BARCODED COMBINATORIAL LIBRARIES UNITED STATES DEPARTMENT OF ENERGY 2019-06-27 US disclosed
US-10294473-B2 Methods for generating barcoded combinatorial libraries THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-05-21 US disclosed
US-10287575-B2 Methods for generating barcoded combinatorial libraries THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-05-14 US disclosed
EP-3474669-A1 METHODS FOR GENERATING BARCODED COMBINATORIAL LIBRARIES The Regents of The University of Colorado, A Body Corporate (US) 2019-05-01 EP disclosed
CN-109311931-A System and method for photoprotecting metabolic pathways for production of chemical substances 何塞·L·阿瓦洛斯 2019-02-05 CN disclosed
WO-2017223538-A9 METHODS FOR GENERATING BARCODED COMBINATORIAL LIBRARIES THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-07-19 WO disclosed
US-10017760-B2 Methods for generating barcoded combinatorial libraries INSCRIPTA, INC. (US) 2018-07-10 US disclosed
CN-101959568-A Reclaim higher alcohol from dilute aqueous solution GEVO INC 2011-01-26 CN disclosed
US-20090156777-A1 Freeze-stable aromatic diisocyanates and processes for the preparation of these freeze-stable products BAYER MATERIALSCIENCE LLC 2009-06-18 US disclosed
CN-101260028-A Method for preparing iso-butyl aldehyde by using isobutene or tert-butyl alcohol as raw material SHANGHAI HUAYI ACRYLIC ACID CO (CN) 2008-09-10 CN disclosed
WO-2001044145-A1 METHOD FOR THE MANUFACTURE OF OLEFINS FORTUM OIL AND GAS OY (FI) 2001-06-21 WO disclosed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN disclosed
CN-1196082-A Concentrated stable fabric softening compositions comprising chelants PROCTER & GAMBLE (US) 1998-10-14 CN disclosed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN disclosed
EP-0839180-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP disclosed
WO-1997003172-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
US-4254290-A ALUMINA-SILICA GENERAL ELECTRIC COMPANY (US) 1981-03-03 US disclosed