1,3-Propanediol

1,3-Propanediol

SCHEMBL28201030

CC(O)C(C)O.OCCCO.OCCO

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 6/20 0.36
LMNA P02545 3/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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 SCHEMBL10732844 0.89 SMN1; SMN2 (0.47) TDP1ALDH1A1SMN1; SMN2TSHRLMNA
1,3-Propanediol SCHEMBL4960368 0.89 ALDH1A1 (0.46) TDP1ALDH1A1SMN1; SMN2TSHRLMNA
Ethylene Glycol SCHEMBL11854547 0.89 TDP1 (0.50) TDP1ALDH1A1TSHRLMNA
1,5-Pentanediol SCHEMBL5410111 0.86 TSHR (0.50) TDP1ALDH1A1SMN1; SMN2TSHRLMNA
1,6-Hexanediol SCHEMBL2140845 0.86 TSHR (0.50) TDP1ALDH1A1SMN1; SMN2TSHRLMNA
1,3-Propanediol SCHEMBL10780274 0.85
1,3-Propanediol SCHEMBL8809902 0.85
1,3-Propanediol SCHEMBL4960366 0.83 ALDH1A1 (0.40) TDP1ALDH1A1SMN1; SMN2TSHRLMNA
Propylene Glycol SCHEMBL27908921 0.83 TDP1 (0.67) TDP1ALDH1A1SMN1; SMN2TSHRLMNA
Butyl Alcohol SCHEMBL1984186 0.80 ALDH1A1 (0.69) TDP1ALDH1A1SMN1; SMN2TSHRLMNA

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-107567477-A Pull tab for food and/or beverage can PPG工业俄亥俄公司 2018-01-09 CN disclosed