⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19772678 | 0.72 | — | — | |
| SCHEMBL20750072 | 0.72 | — | — | |
| SCHEMBL21479620 | 0.67 | — | — | |
| SCHEMBL15870029 | 0.67 | — | — | |
| SCHEMBL19049739 | 0.67 | — | — | |
| SCHEMBL17624750 | 0.67 | — | — | |
| SCHEMBL18925979 | 0.65 | — | — | |
| SCHEMBL9838576 | 0.64 | — | — | |
| SCHEMBL22732390 | 0.64 | — | — | |
| SCHEMBL22878654 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11078197-B2 | 5-membered and bicyclic heterocyclic amides as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-03 | — | — | US | disclosed |
| EP-3736268-A1 | PROCESS FOR THE PREPARATION OF SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS | Signal Pharmaceuticals, LLC (US) | 2020-11-11 | — | — | EP | disclosed |
| CN-101675053-B | Phosphoinositide 3-kinase inhibitor compounds and methods of use | GENENTECH INC | 2014-03-12 | — | — | CN | disclosed |
| CN-101080532-A | Papers with a high filler material content and high dry strength | BASF AG (DE) | 2007-11-28 | — | — | CN | disclosed |