⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27598926 | 0.81 | — | — | |
| SCHEMBL265642 | 0.74 | — | — | |
| SCHEMBL16837745 | 0.70 | GAA (0.33) | — | |
| SCHEMBL15868363 | 0.68 | — | — | |
| SCHEMBL13928657 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL31372632 | 0.65 | — | — | |
| SCHEMBL25901399 | 0.65 | — | — | |
| 2-(Nitromethylene)Imidazolidine SCHEMBL2069003 | 0.63 | — | — | |
| 2-(Nitromethylene)Imidazolidine SCHEMBL27366555 | 0.62 | — | — | |
| SCHEMBL7514475 | 0.59 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119431325-A | 3- (1H-pyrazol-1-yl) azetidine compound and synthetic method thereof | 诚达药业股份有限公司 | 2025-02-14 | — | — | CN | disclosed |
| CN-119431325-A | 3- (1H-pyrazol-1-yl) azetidine compound and synthetic method thereof | 诚达药业股份有限公司 | 2025-02-14 | — | — | CN | disclosed |
| US-11713339-B2 | Macrocyclization of peptidomimetics | UNIVERSITY OF WARWICK (GB) | 2023-08-01 | — | — | US | disclosed |
| EP-3774845-A1 | MACROCYCLIZATION OF PEPTIDOMIMETICS | University of Warwick (GB) | 2021-02-17 | — | — | EP | disclosed |
| US-20210024579-A1 | MACROCYCLIZATION OF PEPTIDOMIMETICS | UNIVERSITY OF WARWICK (GB) | 2021-01-28 | — | — | US | disclosed |
| CN-112135835-A | Macrocyclization of peptidomimetics | 华威大学 | 2020-12-25 | — | — | CN | disclosed |
| WO-2019186174-A1 | MACROCYCLIZATION OF PEPTIDOMIMETICS | UNIVERSITY OF WARWICK (GB) | 2019-10-03 | — | — | WO | disclosed |
| WO-2019186174-A1 | MACROCYCLIZATION OF PEPTIDOMIMETICS | UNIVERSITY OF WARWICK (GB) | 2019-10-03 | — | — | WO | disclosed |