2-Pentanol

2-Pentanol

SCHEMBL5546905

CC(C)CCOCCC(C)C.CCCC(C)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TSHR P16473 4/20 0.35
ALDH1A1 P00352 2/20 0.34
FDPS P14324 1/20 0.31
METAP1 P53582 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP19A1 P11511 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
Butane SCHEMBL2850670 0.82 ALDH1A1 (0.42) HSD17B10TDP1CA12CA1CA2
2-Pentanol SCHEMBL143322 0.81 TSHR (0.52) HSD17B10TDP1TSHRALDH1A1
Propylene Glycol SCHEMBL28630527 0.80 TDP1 (0.53) HSD17B10TDP1CA12CA1CA2
SCHEMBL873211 0.80
SCHEMBL133602 0.79
Isobutanol SCHEMBL5541126 0.79 TSHR (0.53) HSD17B10TDP1CA12CA1CA2
2-Pentanol SCHEMBL5539134 0.79 HTT (0.50) HSD17B10TSHR
Propane SCHEMBL2849646 0.79 ALDH1A1 (0.43) HSD17B10TDP1CA12CA1CA2
SCHEMBL10885467 0.79 HSD17B10 (0.43) HSD17B10TDP1TSHRALDH1A1
Methyl Alcohol SCHEMBL20524668 0.79 CA1 (0.44) HSD17B10TDP1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070122741-A1 Resist protective coating material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-05-31 US disclosed