⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23502662 | 0.85 | BRS3 (0.31) | — | |
| SCHEMBL1911598 | 0.78 | ESR1 (0.32) | — | |
| SCHEMBL24759829 | 0.75 | — | — | |
| SCHEMBL344424 | 0.71 | — | — | |
| SCHEMBL24967232 | 0.71 | DAO (0.32) | — | |
| SCHEMBL253076 | 0.71 | — | — | |
| SCHEMBL19017452 | 0.69 | HMGCR (0.32) | — | |
| SCHEMBL22480616 | 0.69 | ESR1 (0.33) | — | |
| SCHEMBL28206076 | 0.69 | TAAR1 (0.42) | — | |
| Water SCHEMBL6682358 | 0.69 | APOBEC3G (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10669252-B2 | Benzazepine derivative, preparation method, pharmaceutical composition and use thereof | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2020-06-02 | — | — | US | disclosed |
| US-20190152941-A1 | BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2019-05-23 | — | — | US | disclosed |