⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2057940 | 0.93 | — | — | |
| SCHEMBL2058354 | 0.93 | — | — | |
| SCHEMBL2058295 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL8961366 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL8961364 | 0.91 | — | — | |
| SCHEMBL3715777 | 0.83 | CA1 (0.52) | — | |
| SCHEMBL731550 | 0.82 | TSHR (0.32) | — | |
| Homoserine Lactone SCHEMBL79968 | 0.82 | — | — | |
| Homoserine Lactone SCHEMBL79466 | 0.82 | — | — | |
| Homoserine Lactone SCHEMBL79969 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20060147490-A1 | New polymers and applications | BOWDEN TIM | 2006-07-06 | — | — | US | claimed |
| EP-1546232-A2 | NEW POLYMERS AND APPLICATIONS | Hilborn, Jöns (SE) | 2005-06-29 | — | — | EP | claimed |
| WO-2004021976-A2 | NEW POLYMERS AND APPLICATIONS | HILBORN JOENS (SE) | 2004-03-18 | — | — | WO | claimed |
| CN-110869363-B | 5-membered and bicyclic heterocyclic amides as ROCK inhibitors | 百时美施贵宝公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-110869361-B | Five-membered amino heterocycles and 5, 6-or 6, 6-membered bicyclic amino heterocycles inhibitors of ROCK for the treatment of heart failure | 百时美施贵宝公司 | 2023-06-02 | — | — | CN | disclosed |
| CN-110914257-B | Spiroheptylhydantoins as ROCK inhibitors | 百时美施贵宝公司 | 2023-05-26 | — | — | CN | 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 |
| CN-110914257-A | Spiroheptyl hydantoins as ROCK inhibitors | 百时美施贵宝公司 | 2020-03-24 | — | — | CN | disclosed |
| CN-110869361-A | Five-membered amino heterocycle and 5, 6-or 6, 6-membered bicyclic amino heterocycle inhibitors of ROCK for the treatment of heart failure | 百时美施贵宝公司 | 2020-03-06 | — | — | CN | disclosed |
| CN-110869363-A | 5-membered and bicyclic heterocyclic amides as ROCK inhibitors | 百时美施贵宝公司 | 2020-03-06 | — | — | CN | disclosed |
| US-20060147490-A1 | New polymers and applications | BOWDEN TIM | 2006-07-06 | — | — | US | disclosed |
| EP-1546232-A2 | NEW POLYMERS AND APPLICATIONS | Hilborn, Jöns (SE) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004021976-A2 | NEW POLYMERS AND APPLICATIONS | HILBORN JOENS (SE) | 2004-03-18 | — | — | WO | disclosed |