⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL2307225 | 0.77 | — | — | |
| SCHEMBL15179655 | 0.72 | — | — | |
| SCHEMBL18556508 | 0.72 | — | — | |
| Alcohol SCHEMBL8213572 | 0.72 | — | — | |
| SCHEMBL17288337 | 0.72 | — | — | |
| Alcohol SCHEMBL14518212 | 0.72 | — | — | |
| 1,4-Butanediol SCHEMBL2537863 | 0.68 | — | — | |
| 1,3-Propanediol SCHEMBL3133442 | 0.68 | — | — | |
| 1,3-Propanediol SCHEMBL3064270 | 0.68 | — | — | |
| 1,3-Propanediol SCHEMBL17714283 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7439225-B2 | Substances K01-B0171 and process for producing the same | THE KITASATO INSTITUTE (JP) | 2008-10-21 | — | — | US | disclosed |
| US-20060089298-A1 | Novel substances k01-b0171 and process for producing the same | KITASATO INSTITUTE, THE (JP) | 2006-04-27 | — | — | US | disclosed |