⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29340433 | 0.67 | — | — | |
| SCHEMBL16994171 | 0.64 | CHRM2 (0.37) | — | |
| SCHEMBL18664135 | 0.64 | CHRM2 (0.37) | — | |
| SCHEMBL14769010 | 0.64 | CHRM2 (0.37) | — | |
| SCHEMBL14531834 | 0.64 | CHRM2 (0.37) | — | |
| SCHEMBL683685 | 0.62 | CHRM2 (0.36) | — | |
| SCHEMBL21111358 | 0.62 | CHRM2 (0.36) | — | |
| SCHEMBL3450045 | 0.61 | CYP2D6 (0.48) | — | |
| SCHEMBL5861606 | 0.61 | CYP2D6 (0.48) | — | |
| SCHEMBL3450044 | 0.61 | CYP2D6 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3183248-B1 | TIED-BACK BENZAMIDE DERIVATIVES AS POTENT ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-11-11 | — | — | EP | disclosed |
| US-20170226105-A1 | TIED-BACK BENZAMIDE DERIVATIVES AS POTENT ROCK INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-08-10 | — | — | US | disclosed |