⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24211447 | 0.90 | — | — | |
| SCHEMBL21968423 | 0.84 | — | — | |
| SCHEMBL21968419 | 0.84 | — | — | |
| SCHEMBL24651322 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL24595153 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL25085481 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL25085461 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL24211158 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL24651319 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL20847897 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11377438-B2 | 2-amino-n-heteroaryl-nicotinamides as Nav1.8 inhibitors | MERCK SHARP & DOHME LLC (US) | 2022-07-05 | — | — | US | disclosed |