⚠ 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 | |
|---|---|---|---|---|
| Oxirane SCHEMBL8094696 | 0.79 | TTR (0.83) | — | |
| Oxirane SCHEMBL654963 | 0.79 | — | — | |
| Oxirane SCHEMBL1330900 | 0.79 | — | — | |
| Oxirane SCHEMBL973217 | 0.79 | — | — | |
| Oxirane SCHEMBL11492072 | 0.79 | — | — | |
| Oxirane SCHEMBL3587 | 0.79 | — | — | |
| Oxirane SCHEMBL886925 | 0.79 | — | — | |
| Oxirane SCHEMBL11669884 | 0.72 | — | — | |
| Oxirane SCHEMBL11220618 | 0.72 | — | — | |
| SCHEMBL16041435 | 0.72 | TTR (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8236994-B2 | Process for the biological production of 1,3-propanediol from glycerol with high yield | METABOLIC EXPLORER (FR) | 2012-08-07 | — | — | US | disclosed |
| EP-2400027-A1 | Process for the biological production of 1,3-propanediol from glycerol with high yield | Metabolic Explorer (FR) | 2011-12-28 | — | — | EP | disclosed |
| US-20100137655-A1 | PROCESS FOR THE BIOLOGICAL PRODUCTION OF 1,3-PROPANEDIOL FROM GLYCEROL WITH HIGH YIELD | METABOLIC EXPLORER (FR) | 2010-06-03 | — | — | US | disclosed |
| EP-2084288-A1 | PROCESS FOR THE BIOLOGICAL PRODUCTION OF 1,3-PROPANEDIOL FROM GLYCEROL WITH HIGH YIELD | Metabolic Explorer (FR) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008052595-A1 | PROCESS FOR THE BIOLOGICAL PRODUCTION OF 1,3-PROPANEDIOL FROM GLYCEROL WITH HIGH YIELD | METABOLIC EXPLORER (FR) | 2008-05-08 | — | — | WO | disclosed |