⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28125947 | 0.82 | — | — | |
| SCHEMBL28839402 | 0.79 | SLC9A1 (0.40) | — | |
| SCHEMBL858824 | 0.76 | — | — | |
| SCHEMBL858977 | 0.76 | — | — | |
| SCHEMBL23138162 | 0.76 | MAPK1 (0.33) | — | |
| SCHEMBL27984511 | 0.76 | KMT2A (0.45) | — | |
| SCHEMBL257500 | 0.73 | — | — | |
| SCHEMBL15660024 | 0.73 | — | — | |
| SCHEMBL27743314 | 0.73 | MPO (0.42) | — | |
| SCHEMBL256684 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3611165-B1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) | 2023-08-16 | — | — | EP | disclosed |
| CN-110156772-A | Heterocyclic compound, application thereof and pharmaceutical composition containing same | 苏州信诺维医药科技有限公司 | 2019-08-23 | — | — | CN | disclosed |
| WO-2016095088-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |
| WO-2016095089-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |
| CN-1118468-C | Pyrazolopyrimidines and pyrazolotriazines | HOFFMANN LA ROCHE (CH) | 2003-08-20 | — | — | CN | disclosed |
| CN-1236780-A | Pyrazolopyrimidines and pyrazolotriazines | HOFFMANN LA ROCHE (CH) | 1999-12-01 | — | — | CN | disclosed |