1,3-Propanediol

1,3-Propanediol

SCHEMBL16047003

O=P(O)(c1ccccc1)c1ccccc1.O=P(O)(c1ccccc1)c1ccccc1.OCCCO

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.54
▸ CA2 P00918 1/20 0.52
▸ CA4 P22748 1/20 0.52
▸ CA5A P35218 1/20 0.52
▸ CFTR P13569 1/20 0.52
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HTT P42858 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALPG P10696 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ NPY1R P25929 1/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ TSHR P16473 3/20 0.44

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
Ethylene Glycol SCHEMBL7690092 0.91 GAA (0.58) GAACA2CA4CA5ACFTR
Benzoic Acid SCHEMBL16046706 0.89 TSHR (0.50) GAACA2CA4CA5ACFTR
SCHEMBL191567 0.85 CA2 (0.68) GAACA2CA4CA5ACFTR
SCHEMBL673018 0.83 CA2 (0.65) GAACA2CA4CA5ACFTR
Hydrochloric Acid SCHEMBL2361106 0.83 CA2 (0.65) GAACA2CA4CA5ACFTR
SCHEMBL640045 0.83 CA2 (0.65) GAACA2CA4CA5ACFTR
SCHEMBL19809595 0.83 CA2 (0.65) GAACA2CA4CA5ACFTR
SCHEMBL19895693 0.83 CA2 (0.65) GAACA2CA4CA5ACFTR
SCHEMBL153682 0.83 CA2 (0.65) GAACA2CA4CA5ACFTR
SCHEMBL226388 0.83 CA2 (0.65) GAACA2CA4CA5ACFTR

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
EP-2969201-B1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORP USA (US) 2022-05-04 — — EP disclosed
US-9790291-B2 Non-phthalate compounds as electron donors for polyolefin catalysts FORMOSA PLASTICS CORPORATION, USA (US) 2017-10-17 — — US disclosed
US-20140275456-A1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORPORATION, USA (US) 2014-09-18 — — US disclosed
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