1-Pentanol

1-Pentanol

SCHEMBL9632152

CC(=O)OCCO.CCCCCO.CCOCCOC(C)=O

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
TSHR P16473 3/20 0.66
THRB P10828 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
ACHE P22303 7/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40

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
Butyl Alcohol SCHEMBL723874 0.90 ALDH1A1 (0.66) ALDH1A1TSHRTHRBMEN1KMT2A
Butyl Alcohol SCHEMBL7622979 0.89 ALDH1A1 (0.70) ALDH1A1TSHRTHRBMEN1KMT2A
SCHEMBL1173194 0.89 ALDH1A1 (0.83) ALDH1A1TSHRTHRBMEN1KMT2A
Acetic Acid Pentyl Ester SCHEMBL19127563 0.88 ALDH1A1 (0.59) ALDH1A1TSHRTHRBMEN1KMT2A
Methyl Alcohol SCHEMBL11438260 0.87 ALDH1A1 (0.79) ALDH1A1TSHRTHRBMEN1KMT2A
Butoxyethanol SCHEMBL1497994 0.86 ALDH1A1 (0.66) ALDH1A1TSHRTHRBMEN1KMT2A
Butoxyethanol SCHEMBL28032884 0.86 ALDH1A1 (0.66) ALDH1A1TSHRTHRBMEN1KMT2A
2-Ethoxyethanol SCHEMBL17451413 0.86 ALDH1A1 (0.66) ALDH1A1TSHRTHRBMEN1KMT2A
Acetic Acid Pentyl Ester SCHEMBL8810307 0.86 TSHR (0.60) ALDH1A1TSHRTHRBMEN1KMT2A
1-Pentanol SCHEMBL28081665 0.86 ALDH1A1 (0.61) ALDH1A1TSHRTHRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098766-A Glass epoxy prepreg, photocured adhesive, epoxy resins, phenolic resins, acrylated epoxy resins IBM CORPORATION (US) 1992-03-24 US disclosed
US-5041470-A Flame retardant photocurable adhesive for wires and circuit boards INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1991-08-20 US disclosed