1,3-Propanediol

1,3-Propanediol

SCHEMBL3049205

COC(=O)c1ccc(C(=O)OC)cc1.OCCCO

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.75
CYP4F2 P78329 3/20 0.72
POLB P06746 2/20 0.68
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA12 O43570 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
CA14 Q9ULX7 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 4/20 0.61
LOXL2 Q9Y4K0 1/20 0.59
TSHR P16473 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 1/20 0.55
RAB9A P51151 2/20 0.52
HPGD P15428 1/20 0.52
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50

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 SCHEMBL2722579 0.95 CYP4A11 (0.79) CYP4A11CYP4F2POLBCA1CA2
Ethylene Glycol SCHEMBL1859525 0.91 CYP4A11 (0.68) CYP4A11CYP4F2POLBCA1CA2
Ethylene Glycol SCHEMBL8585667 0.86 CYP4A11 (0.63) CYP4A11CYP4F2POLBCA1CA2
SCHEMBL2654777 0.86 CYP4A11 (1.00) CYP4A11CYP4F2POLBCA1CA2
SCHEMBL26976658 0.86 CYP4A11 (0.64) CYP4A11CYP4F2POLBCA1CA2
Alcohol SCHEMBL11164959 0.86 CA1 (0.67) CYP4A11CYP4F2POLBCA1CA2
SCHEMBL28993944 0.85 CA1 (0.80) CYP4A11CA1CA2CA12CA7
SCHEMBL23600 0.85 CA1 (0.80) CYP4A11CA1CA2CA12CA7
SCHEMBL1628660 0.85 CYP4A11 (1.00) CYP4A11CYP4F2POLBCA1CA2
SCHEMBL223429 0.85 MAPT (0.79) CYP4A11CYP4F2POLBCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115896978-A Regenerated PET/PO3G-PTT parallel composite fiber and preparation method thereof 江苏三联新材料股份有限公司 2023-04-04 CN disclosed
US-7759450-B2 Polytrimethylene terephthalate resin and method for producing the same ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-07-20 US disclosed
US-20060128905-A1 Polytrimethylene terephthalate resin and method for production thereof ASAHI KASEI CHEMICALS CORPORATION (JP) 2006-06-15 US disclosed
EP-1571171-A1 POLYTRIMETHYLENE TEREPHTHALATE RESIN AND METHOD FOR PRODUCTION THEREOF Asahi Kasei Chemicals Corporation (JP) 2005-09-07 EP disclosed