1,3-Propanediol

1,3-Propanediol

SCHEMBL28292877

CC(CBr)[N+](=O)[O-].OCCCO

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
TSHR P16473 1/20 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
Alcohol SCHEMBL27585293 0.86 ALDH1A1 (0.36) ALDH1A1HPGDHIF1ATSHR
SCHEMBL1702266 0.86
SCHEMBL6382911 0.77
SCHEMBL2165300 0.76 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL11417629 0.74 LMNA (0.33) ALDH1A1TDP1TSHR
SCHEMBL5356079 0.72
SCHEMBL524448 0.71
SCHEMBL6686482 0.70 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL28817696 0.68
1,3-Propanediol SCHEMBL4731010 0.67 CA5A (0.57) ALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108226349-A Detection method that is a kind of while measuring a variety of bacteriostatic agents in QUMIXIN emulsifiable paste 广西壮族自治区食品药品检验所 2018-06-29 CN claimed
CN-109641995-A Luminescence generated by light nanoparticle and its synthesis and application 香港理工大学 2019-04-16 CN disclosed
CN-108226349-A Detection method that is a kind of while measuring a variety of bacteriostatic agents in QUMIXIN emulsifiable paste 广西壮族自治区食品药品检验所 2018-06-29 CN disclosed