⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5373528 | 0.69 | — | — | |
| SCHEMBL793258 | 0.66 | — | — | |
| SCHEMBL28653174 | 0.62 | — | — | |
| Isopropyl Alcohol SCHEMBL4414291 | 0.61 | ALDH1A1 (0.43) | — | |
| SCHEMBL327466 | 0.61 | — | — | |
| SCHEMBL17163935 | 0.61 | — | — | |
| SCHEMBL28111386 | 0.60 | KMT2A (0.30) | — | |
| SCHEMBL10838252 | 0.59 | — | — | |
| Ammonia Solution, Strong SCHEMBL27442692 | 0.59 | — | — | |
| SCHEMBL9687251 | 0.57 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458656-A1 | ONE STEP HYDROFORMYLATION AND HYDROGENATION PROCESS FOR PREPARING A 1,3-PROPANEDIOL | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003029161-A1 | ONE STEP HYDROFORMYLATION AND HYDROGENATION PROCESS FOR PREPARING A 1,3-PROPANEDIOL | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2003-04-10 | — | — | WO | disclosed |
| US-6545190-B2 | Hydroformylation of ethylene oxide with synthesis gas | SHELL OIL COMPANY | 2003-04-08 | — | — | US | disclosed |
| US-20030040647-A1 | One step process for preparing a 1,3-diol | SHELL OIL COMPANY | 2003-02-27 | — | — | US | disclosed |
| EP-0257967-B1 | PROCESS FOR MAKING 1,3-GLYCOLS FROM EPOXIDES | HOECHST CELANESE CORPORATION (US) | 1993-05-19 | — | — | EP | disclosed |
| EP-0469829-A2 | Process for making 1,3-diols from epoxides | HOECHST CELANESE CORPORATION (US) | 1992-02-05 | — | — | EP | disclosed |
| US-5053562-A | Process for making 1,3-diols from epoxides | HOECHST CELANESE CORPORATION (US) | 1991-10-01 | — | — | US | disclosed |
| US-4935554-A | Process for making 1,3-diols from epoxides | HOECHST CELANESE CORPORATION (US) | 1990-06-19 | — | — | US | disclosed |
| US-4873378-A | Process for making 1,3-diols from epoxides | HOECHST CELANESE CORPORATION (US) | 1989-10-10 | — | — | US | disclosed |
| EP-0257967-A2 | Process for making 1,3-glycols from epoxides | HOECHST CELANESE CORPORATION (US) | 1988-03-02 | — | — | EP | disclosed |