1,5-Pentanediol

1,5-Pentanediol

SCHEMBL28092576

CC(C)(CO)CO.CCC(O)OCC(C)OC(O)CC.OCCCCCO.OCCCCO.OCCO.[OH]

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
1,4-Butanediol SCHEMBL28706362 0.86 TSHR (0.44) TSHR
Ethylene Glycol SCHEMBL28066606 0.83 TSHR (0.48) TSHR
SCHEMBL414103 0.78 TSHR (0.55) TSHR
Methyl Alcohol SCHEMBL28294557 0.76 TSHR (0.52) TSHR
2-Methoxyethanol SCHEMBL28236376 0.72 TSHR (0.40) TSHR
SCHEMBL27933246 0.72 USP2 (0.43) TSHR
2-Ethoxyethanol SCHEMBL28165015 0.71 ALDH1A1 (0.47) TSHR
SCHEMBL28325323 0.68 TSHR (0.48) TSHR
1,4-Butanediol SCHEMBL8137528 0.68 TSHR (0.72) TSHR
SCHEMBL27948546 0.67 TSHR (0.38) TSHR

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
CN-105849114-A Silylated polyisocyanates 巴斯夫欧洲公司 2016-08-10 CN disclosed