Isobutanol

Isobutanol

SCHEMBL7219927

CC(C)CO.CCC(C)O.CCCCO

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TSHR P16473 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 5/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2D6 P10635 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34

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 SCHEMBL28097158 0.95 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
2-Pentanol SCHEMBL11307981 0.93 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Butanol SCHEMBL9778184 0.92 ALDH1A1 (0.65) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Butanol SCHEMBL1259057 0.92 ALDH1A1 (0.65) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Isobutanol SCHEMBL28071126 0.91 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Tert-Butanol SCHEMBL14919534 0.91 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Butanol SCHEMBL5344990 0.90 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Isobutanol SCHEMBL4228213 0.90 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Isobutanol SCHEMBL1128320 0.89 ALDH1A1 (0.69) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Butanol SCHEMBL5880957 0.87 ALDH1A1 (0.58) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105907180-A Quantum dot ink and preparation method thereof TCL集团股份有限公司 2016-08-31 CN claimed
CN-105820663-A Quantum dot ink and preparing method thereof TCL集团股份有限公司 2016-08-03 CN claimed
CN-105907180-A Quantum dot ink and preparation method thereof TCL集团股份有限公司 2016-08-31 CN disclosed
CN-105820663-A Quantum dot ink and preparing method thereof TCL集团股份有限公司 2016-08-03 CN disclosed
US-6623817-B1 Inkjet printable waterslide transferable media GHARTPAK, INC. 2003-09-23 US disclosed