⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21719182 | 0.82 | — | — | |
| SCHEMBL21719184 | 0.81 | — | — | |
| SCHEMBL21718460 | 0.79 | S1PR4 (0.31) | — | |
| SCHEMBL21719003 | 0.79 | XPO1 (0.32) | — | |
| SCHEMBL21719004 | 0.77 | ALOX5AP (0.30) | — | |
| SCHEMBL21719208 | 0.68 | — | — | |
| SCHEMBL18649480 | 0.66 | RIPK1 (0.39) | — | |
| SCHEMBL24938536 | 0.66 | ESR1 (0.30) | — | |
| SCHEMBL19256234 | 0.65 | IMPDH2 (0.36) | — | |
| SCHEMBL19281833 | 0.64 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11178870-B2 | Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients | MITSUI CHEMICALS AGRO, INC. (JP) | 2021-11-23 | — | — | US | disclosed |
| US-20200045968-A1 | PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS | MITSUI CHEMICALS AGRO, INC. (JP) | 2020-02-13 | — | — | US | disclosed |