⚠ 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 | |
|---|---|---|---|---|
| 2-Aminopyridine SCHEMBL28859778 | 0.72 | NOS3 (0.55) | — | |
| SCHEMBL28840273 | 0.71 | — | — | |
| SCHEMBL18952024 | 0.69 | — | — | |
| SCHEMBL13134400 | 0.64 | — | — | |
| SCHEMBL12944279 | 0.62 | — | — | |
| SCHEMBL13760002 | 0.62 | — | — | |
| SCHEMBL449836 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL19946004 | 0.52 | — | — | |
| SCHEMBL30577822 | 0.52 | CA12 (0.57) | — | |
| SCHEMBL28455177 | 0.52 | CA12 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3611165-A1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | Mitsui Chemicals Agro, Inc. (JP) | 2020-02-19 | — | — | EP | disclosed |
| CN-106832408-B | A kind of siliceous DOPO derivative flame retardant and preparation method thereof | 张家港市山牧新材料技术开发有限公司 | 2019-01-15 | — | — | CN | disclosed |
| CN-106832408-A | A kind of siliceous DOPO derivative flame retardants and preparation method thereof | 张家港市山牧新材料技术开发有限公司 | 2017-06-13 | — | — | CN | disclosed |
| EP-1919864-A2 | FAP INHIBITORS | Ferring B.V. (NL) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007085895-A2 | FAP INHIBITORS | FERRING B.V. (US) | 2007-08-02 | — | — | WO | disclosed |