⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27112735 | 0.79 | HAVCR2 (0.30) | — | |
| SCHEMBL27112031 | 0.74 | PDE4B (0.33) | — | |
| SCHEMBL27112109 | 0.70 | HAVCR2 (0.31) | — | |
| SCHEMBL27112062 | 0.67 | FABP3 (0.32) | — | |
| SCHEMBL27112071 | 0.66 | — | — | |
| SCHEMBL27112130 | 0.66 | HAVCR2 (0.31) | — | |
| SCHEMBL27112088 | 0.66 | — | — | |
| SCHEMBL27112110 | 0.66 | HAVCR2 (0.33) | — | |
| SCHEMBL24198341 | 0.64 | — | — | |
| SCHEMBL25327059 | 0.63 | — | — |
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-20240066027-A1 | NOVEL PAR-2 INHIBITORS | DOMAIN THERAPEUTICS (FR) | 2024-02-29 | — | — | US | disclosed |
| US-20240066027-A1 | NOVEL PAR-2 INHIBITORS | DOMAIN THERAPEUTICS (FR) | 2024-02-29 | — | — | US | disclosed |