⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19128284 | 1.00 | — | — | |
| SCHEMBL15879470 | 0.88 | HLCS (0.32) | — | |
| SCHEMBL15879468 | 0.88 | HLCS (0.32) | — | |
| SCHEMBL962003 | 0.83 | — | — | |
| SCHEMBL1775806 | 0.83 | — | — | |
| SCHEMBL2205953 | 0.83 | — | — | |
| SCHEMBL2035483 | 0.81 | — | — | |
| SCHEMBL19692710 | 0.81 | — | — | |
| SCHEMBL1439579 | 0.79 | — | — | |
| SCHEMBL1439581 | 0.79 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3954681-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2022-02-16 | — | — | EP | disclosed |
| EP-3402790-B1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-10-06 | — | — | EP | disclosed |
| CN-108699038-B | Spirocyclic heptane salicylamides and related compounds as Rock inhibitors | 百时美施贵宝公司 | 2021-04-16 | — | — | CN | disclosed |
| US-10829501-B2 | Spiroheptane salicylamides and related compounds as inhibitors of ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-11-10 | — | — | US | disclosed |
| US-20200131200-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2020-04-30 | — | — | US | disclosed |
| US-10611776-B2 | Spiroheptane salicylamides and related compounds as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-04-07 | — | — | US | disclosed |
| US-20190016735-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2019-01-17 | — | — | US | disclosed |
| EP-3402790-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2018-11-21 | — | — | EP | disclosed |
| WO-2017123860-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-07-20 | — | — | WO | disclosed |
| EP-0258289-A4 | PEPTIDE ANALOGS | — | 1991-01-02 | — | — | EP | disclosed |
| US-4826958-A | HYPOTENSIVE AGENTS | ABBOTT LABORATORIES (US) | 1989-05-02 | — | — | US | disclosed |
| EP-0258289-A1 | PEPTIDE ANALOGS | ABBOTT LABORATORIES (US) | 1988-03-09 | — | — | EP | disclosed |
| WO-1987004349-A1 | PEPTIDE ANALOGS | DELLARIA JOSEPH | 1987-07-30 | — | — | WO | disclosed |