⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9249312 | 0.96 | HIF1A (0.47) | — | |
| SCHEMBL50638 | 0.96 | — | — | |
| SCHEMBL28222197 | 0.92 | — | — | |
| Water SCHEMBL22031592 | 0.92 | — | — | |
| SCHEMBL28238044 | 0.92 | — | — | |
| Water SCHEMBL728694 | 0.92 | — | — | |
| SCHEMBL16859756 | 0.92 | — | — | |
| SCHEMBL16288075 | 0.92 | — | — | |
| SCHEMBL29269061 | 0.92 | — | — | |
| SCHEMBL2677209 | 0.92 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1131155-B1 | CATALYST AND PROCESS FOR PREPARING 1,3-PROPANEDIOL | SHELL INT RESEARCH (NL) | 2005-08-17 | — | — | EP | disclosed |
| US-6342464-B1 | MOLYBDENUM NICKEL SILICATE CATALYST | SHELL OIL COMPANY | 2002-01-29 | — | — | US | disclosed |
| EP-1131155-A1 | CATALYST AND PROCESS FOR PREPARING 1,3-PROPANEDIOL | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2001-09-12 | — | — | EP | disclosed |
| WO-2000025914-A1 | CATALYST AND PROCESS FOR PREPARING 1,3-PROPANEDIOL | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2000-05-11 | — | — | WO | disclosed |
| US-5945570-A | Catalyst and process for preparing 1,3-propanediol | SHELL OIL COMPANY | 1999-08-31 | — | — | US | disclosed |