⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16094240 | 0.79 | — | — | |
| SCHEMBL1845422 | 0.79 | — | — | |
| SCHEMBL3259059 | 0.71 | — | — | |
| SCHEMBL4145791 | 0.69 | — | — | |
| SCHEMBL4649887 | 0.69 | — | — | |
| SCHEMBL314712 | 0.67 | — | — | |
| SCHEMBL1844112 | 0.67 | — | — | |
| SCHEMBL21670037 | 0.67 | — | — | |
| SCHEMBL4505993 | 0.67 | — | — | |
| SCHEMBL4058838 | 0.67 | SLC2A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3652168-A1 | 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2020-05-20 | — | — | EP | disclosed |
| WO-2019014308-A1 | 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-01-17 | — | — | WO | disclosed |
| EP-1392704-A1 | CEPHEM COMPOUNDS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002090364-A1 | CEPHEM COMPOUNDS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-11-14 | — | — | WO | disclosed |