⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18416535 | 0.85 | GBA1 (0.41) | — | |
| SCHEMBL14169430 | 0.82 | GBA1 (0.35) | — | |
| SCHEMBL25356371 | 0.81 | — | — | |
| SCHEMBL758771 | 0.81 | — | — | |
| SCHEMBL761897 | 0.80 | GBA1 (0.35) | — | |
| SCHEMBL19043860 | 0.79 | — | — | |
| SCHEMBL21935392 | 0.79 | — | — | |
| SCHEMBL14101100 | 0.79 | GBA1 (0.33) | — | |
| SCHEMBL1565824 | 0.77 | — | — | |
| SCHEMBL1565742 | 0.77 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1201633-B1 | Process for the production of 1,3-propanediol | DU PONT (US) | 2004-06-23 | — | — | EP | claimed |
| US-6693222-B2 | HYDRATING ACROLEIN USING ACID CATALYST, CATALYTICALLY HYDROGENATING PRODUCT, REFINING MIXTURE CONTAINING WATER, 1,3-PROPANEDIOL AND HIGH BOILING BY-PRODUCTS, TREATING BOILER SUMP IN AQUEOUS SOLUTION WITH ACID CATALYST, NEUTRALIZING | E. I. DU PONT DE NEMOURS AND COMPANY | 2004-02-17 | — | — | US | claimed |
| US-20030187308-A1 | PROCESS FOR SPLITTING WATER-SOLUBLE ETHERS | E. I. DU PONT DE NEMOURS AND COMPANY | 2003-10-02 | — | — | US | claimed |
| CN-117986084-A | Method for preparing 1, 3-propylene glycol by hydrogenation hydrolysis of 1, 3-propylene glycol byproduct | 中海油天津化工研究设计院有限公司 | 2024-05-07 | — | — | CN | disclosed |
| US-20090312485-A1 | UNSATURATED POLYESTER RESIN COMPOSITIONS COMPRISING 1,3-PROPANEDIOL | E. I. DUPONT DE NEMOURS AND COMPANY (US) | 2009-12-17 | — | — | US | disclosed |
| EP-1201633-B1 | Process for the production of 1,3-propanediol | DU PONT (US) | 2004-06-23 | — | — | EP | disclosed |
| US-6693222-B2 | HYDRATING ACROLEIN USING ACID CATALYST, CATALYTICALLY HYDROGENATING PRODUCT, REFINING MIXTURE CONTAINING WATER, 1,3-PROPANEDIOL AND HIGH BOILING BY-PRODUCTS, TREATING BOILER SUMP IN AQUEOUS SOLUTION WITH ACID CATALYST, NEUTRALIZING | E. I. DU PONT DE NEMOURS AND COMPANY | 2004-02-17 | — | — | US | disclosed |
| US-20030187308-A1 | PROCESS FOR SPLITTING WATER-SOLUBLE ETHERS | E. I. DU PONT DE NEMOURS AND COMPANY | 2003-10-02 | — | — | US | disclosed |
| EP-1201633-A1 | Process for the cleavage of water-soluble ethers | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2002-05-02 | — | — | EP | disclosed |
| EP-0577972-B1 | Process for the preparation of 1,3-propanediol | DEGUSSA (DE) | 1996-01-24 | — | — | EP | disclosed |
| US-5364987-A | Process for the preparation of 1,3-propanediol | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1994-11-15 | — | — | US | disclosed |
| EP-0577972-A1 | Process for the preparation of 1,3-propanediol | Degussa Aktiengesellschaft (DE) | 1994-01-12 | — | — | EP | disclosed |