Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 1,3-Propanediol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| 1,3-Propanediol SCHEMBL1840455 | 1.00 | CA5A (0.57) | — | |
| 1,3-Propanediol SCHEMBL4731010 | 1.00 | CA5A (0.57) | — | |
| 1,4-Butanediol SCHEMBL1220765 | 0.93 | CA5A (0.57) | — | |
| 1,4-Butanediol SCHEMBL9322154 | 0.93 | CA5A (0.57) | — | |
| 1,4-Butanediol SCHEMBL167828 | 0.93 | CA5A (0.57) | — | |
| Nitric Acid SCHEMBL25264224 | 0.90 | CA5A (0.53) | — | |
| Nitric Acid SCHEMBL25202723 | 0.90 | CA5A (0.53) | — | |
| Nitric Acid SCHEMBL9874805 | 0.90 | CA5A (0.53) | — | |
| Nitric Acid SCHEMBL25180692 | 0.90 | CA5A (0.53) | — | |
| Nitric Acid SCHEMBL25180668 | 0.90 | CA5A (0.53) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1560804-B1 | A PROCESS FOR THE MONONITRATION OF ALKANEDIOLS | DIPHARMA FRANCIS SRL (IT) | 2009-04-29 | — | — | EP | claimed |
| US-7335789-B2 | Process for the mononitration of alkanediols | DIPHARMA S.P.A. (IT) | 2008-02-26 | — | — | US | claimed |
| US-20060128983-A1 | Process for the mononitration of alkanediols | DIPHARMA S.P.A. (IT) | 2006-06-15 | — | — | US | claimed |
| EP-1560804-A1 | A PROCESS FOR THE MONONITRATION OF ALKANEDIOLS | Dipharma S.p.A. (IT) | 2005-08-10 | — | — | EP | claimed |
| WO-2004043898-A1 | A PROCESS FOR THE MONONITRATION OF ALKANEDIOLS | DIPHARMA S.P.A. (IT) | 2004-05-27 | — | — | WO | claimed |
| CN-117136302-A | Method for monitoring use of methane inhibitors | 帝斯曼知识产权资产管理有限公司 | 2023-11-28 | — | — | CN | disclosed |
| CN-115427389-A | Process for the preparation of omega-alkanediol mononitrate | 帝斯曼知识产权资产管理有限公司 | 2022-12-02 | — | — | CN | disclosed |
| US-7851649-B2 | Process for the mononitration of alkanediols | DIPHARMA S.P.A. (IT) | 2010-12-14 | — | — | US | disclosed |
| EP-1560804-B1 | A PROCESS FOR THE MONONITRATION OF ALKANEDIOLS | DIPHARMA FRANCIS SRL (IT) | 2009-04-29 | — | — | EP | disclosed |
| US-20080146830-A1 | PROCESS FOR THE MONONITRATION OF ALKANEDIOLS | DIPHARMA S.P.A. (IT) | 2008-06-19 | — | — | US | disclosed |
| US-7335789-B2 | Process for the mononitration of alkanediols | DIPHARMA S.P.A. (IT) | 2008-02-26 | — | — | US | disclosed |
| US-20060128983-A1 | Process for the mononitration of alkanediols | DIPHARMA S.P.A. (IT) | 2006-06-15 | — | — | US | disclosed |
| EP-1560804-A1 | A PROCESS FOR THE MONONITRATION OF ALKANEDIOLS | Dipharma S.p.A. (IT) | 2005-08-10 | — | — | EP | disclosed |
| WO-2004043898-A1 | A PROCESS FOR THE MONONITRATION OF ALKANEDIOLS | DIPHARMA S.P.A. (IT) | 2004-05-27 | — | — | WO | disclosed |