1,3-Propanediol

1,3-Propanediol

SCHEMBL23298331

CCCCCCC1(CCCCCC)c2cc(B(O)O)ccc2-c2ccc(B(O)O)cc21.OCCCO.OCCCO

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.42
LPL P06858 8/20 0.42
TRPV1 Q8NER1 2/20 0.42
MGLL Q99685 1/20 0.42
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
PDK2 Q15119 1/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP8 P22894 2/20 0.31
MMP13 P45452 2/20 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
1,3-Propanediol SCHEMBL28470208 1.00 LIPG (0.42) LIPGLPLTRPV1MGLLCA1
1,3-Propanediol SCHEMBL29406695 1.00 LIPG (0.42) LIPGLPLTRPV1MGLLCA1
Ethylene Glycol SCHEMBL588016 0.96 LIPG (0.43) LIPGLPLTRPV1MGLLCA1
SCHEMBL371497 0.94 LIPG (0.46) LIPGLPLTRPV1MGLLCA1
SCHEMBL29383962 0.94 LIPG (0.46) LIPGLPLTRPV1MGLLCA1
SCHEMBL29460237 0.94 LIPG (0.46) LIPGLPLTRPV1MGLLCA1
SCHEMBL29453590 0.94 LIPG (0.46) LIPGLPLTRPV1MGLLCA1
SCHEMBL374243 0.94 LIPG (0.46) LIPGLPLTRPV1MGLLCA1
SCHEMBL28537539 0.94 LIPG (0.46) LIPGLPLTRPV1MGLLCA1
SCHEMBL5809203 0.94 LIPG (0.46) LIPGLPLTRPV1MGLLCA1

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-11697707-B2 Chemical sensors based on carbon nanotubes functionalised by conjugated polymers for analysis in aqueous medium ECOLE POLYTECHNIQUE (FR) 2023-07-11 US disclosed
US-20210130540-A1 CHEMICAL SENSORS BASED ON CARBON NANOTUBES FUNCTIONALISED BY CONJUGATED POLYMERS FOR ANALYSIS IN AQUEOUS MEDIUM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-05-06 US disclosed