⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13318883 | 0.79 | — | — | |
| SCHEMBL266223 | 0.78 | — | — | |
| SCHEMBL24050451 | 0.75 | — | — | |
| SCHEMBL17476060 | 0.75 | — | — | |
| SCHEMBL9252032 | 0.75 | — | — | |
| SCHEMBL263839 | 0.74 | — | — | |
| SCHEMBL1680254 | 0.74 | — | — | |
| SCHEMBL4421188 | 0.74 | — | — | |
| SCHEMBL15337447 | 0.74 | — | — | |
| SCHEMBL5645309 | 0.70 | TAAR1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023132369-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT | 中外製薬株式会社 | 2023-07-13 | — | — | WO | disclosed |
| US-9783540-B2 | Substituted tetrahydropyrans as CCR2 modulators | CHEMOCENTRYX, INC. (US) | 2017-10-10 | — | — | US | disclosed |