⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15785561 | 1.00 | — | — | |
| SCHEMBL17621146 | 0.74 | — | — | |
| SCHEMBL21188628 | 0.74 | — | — | |
| SCHEMBL8244043 | 0.74 | — | — | |
| SCHEMBL14100518 | 0.74 | — | — | |
| SCHEMBL19940365 | 0.73 | — | — | |
| SCHEMBL903274 | 0.71 | — | — | |
| SCHEMBL21316683 | 0.63 | — | — | |
| SCHEMBL15935811 | 0.61 | — | — | |
| SCHEMBL2787056 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3652168-B1 | 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-06-30 | — | — | EP | disclosed |