⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29374 | 0.84 | — | — | |
| Methane SCHEMBL29017317 | 0.81 | — | — | |
| SCHEMBL29186436 | 0.81 | — | — | |
| SCHEMBL775538 | 0.78 | ALDH1A1 (0.43) | — | |
| Cyclohexane SCHEMBL26598419 | 0.77 | NPSR1 (0.48) | — | |
| SCHEMBL9423616 | 0.75 | — | — | |
| SCHEMBL13141065 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL494582 | 0.75 | DGAT1 (0.41) | — | |
| SCHEMBL12534515 | 0.75 | TSHR (0.46) | — | |
| Methoxyacetic Acid SCHEMBL27188026 | 0.75 | TSHR (0.46) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110234627-B | Pyridone compound and agricultural/horticultural bactericide containing pyridone compound as active ingredient | 三井化学植保株式会社 | 2023-09-01 | — | — | CN | disclosed |