⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6848066 | 0.79 | TYR (0.44) | — | |
| SCHEMBL27489535 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL456581 | 0.71 | — | — | |
| SCHEMBL359149 | 0.71 | — | — | |
| SCHEMBL28223685 | 0.71 | TP53 (0.35) | — | |
| SCHEMBL2470763 | 0.71 | XDH (0.35) | — | |
| SCHEMBL9631560 | 0.70 | ALDH1A1 (0.50) | — | |
| SCHEMBL2588081 | 0.68 | LPL (0.38) | — | |
| SCHEMBL15352946 | 0.68 | SLC6A4 (0.35) | — | |
| SCHEMBL457684 | 0.68 | CA1 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0986560-B1 | PYRROLO 2,1,5-CD]INDOLIZINE DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES | KAROBIO AB (SE) | 2004-03-24 | — | — | EP | claimed |
| US-11000038-B2 | Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients | MITSUI CHEMICALS AGRO, INC. (JP) | 2021-05-11 | — | — | US | disclosed |
| US-20200196600-A1 | PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS | MITSUI CHEMICALS AGRO, INC. (JP) | 2020-06-25 | — | — | US | disclosed |
| EP-3611166-A1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | Mitsui Chemicals Agro, Inc. (JP) | 2020-02-19 | — | — | EP | disclosed |