⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8093135 | 0.88 | — | — | |
| SCHEMBL20154290 | 0.85 | — | — | |
| SCHEMBL20153366 | 0.83 | — | — | |
| SCHEMBL24096455 | 0.80 | — | — | |
| SCHEMBL20323285 | 0.76 | — | — | |
| SCHEMBL8275373 | 0.75 | — | — | |
| SCHEMBL23863655 | 0.75 | — | — | |
| SCHEMBL25681338 | 0.74 | — | — | |
| SCHEMBL23074723 | 0.73 | — | — | |
| SCHEMBL20274369 | 0.72 | — | — |
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-10611776-B2 | Spiroheptane salicylamides and related compounds as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-04-07 | — | — | US | disclosed |
| WO-2019014308-A1 | 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-01-17 | — | — | WO | disclosed |
| US-20190016735-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2019-01-17 | — | — | US | disclosed |
| US-9914703-B2 | Pyridic ketone derivatives, method of preparing same, and pharmaceutical application thereof | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2018-03-13 | — | — | US | disclosed |