⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26601710 | 0.84 | — | — | |
| SCHEMBL26601879 | 0.84 | — | — | |
| SCHEMBL26701086 | 0.84 | — | — | |
| SCHEMBL26601568 | 0.80 | MAPK1 (0.34) | — | |
| SCHEMBL26701210 | 0.78 | ADORA2A (0.30) | — | |
| SCHEMBL26601569 | 0.78 | — | — | |
| SCHEMBL26601575 | 0.78 | — | — | |
| SCHEMBL26601571 | 0.78 | — | — | |
| SCHEMBL26701304 | 0.78 | — | — | |
| SCHEMBL26699086 | 0.74 | GRIN2D (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023205465-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |