⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21737096 | 1.00 | — | — | |
| SCHEMBL10998838 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL22771654 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL22771653 | 0.70 | — | — | |
| SCHEMBL14394640 | 0.69 | — | — | |
| SCHEMBL10057643 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL22771937 | 0.67 | — | — | |
| SCHEMBL20663251 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL22771939 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL22771598 | 0.67 | ADH1B (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |