⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9397438 | 0.93 | — | — | |
| SCHEMBL11900984 | 0.93 | FFAR3 (0.40) | — | |
| Bicarbonate SCHEMBL2900014 | 0.83 | — | — | |
| SCHEMBL28218916 | 0.82 | FFAR3 (0.39) | — | |
| SCHEMBL27369419 | 0.80 | — | — | |
| Carbamic Acid SCHEMBL9671042 | 0.77 | — | — | |
| Methyl Alcohol SCHEMBL27697372 | 0.77 | — | — | |
| SCHEMBL5432 | 0.76 | — | — | |
| SCHEMBL8397539 | 0.76 | — | — | |
| SCHEMBL4633004 | 0.75 | FFAR3 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2808324-A1 | PYRROLE COMPOUND | Kabushiki Kaisha Yakult Honsha (JP) | 2014-12-03 | — | — | EP | disclosed |
| US-20140343017-A1 | PYRROLE COMPOUND | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 2014-11-20 | — | — | US | disclosed |
| CN-86108309-A | The phenoxypyridines base ester and the intermediate thereof that are used for desinsection and kill mite | — | 1987-06-17 | — | — | CN | disclosed |