⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20985828 | 0.81 | L3MBTL1 (0.31) | — | |
| SCHEMBL20985791 | 0.81 | EGLN1 (0.31) | — | |
| SCHEMBL20985766 | 0.78 | CBLB (0.31) | — | |
| SCHEMBL20985812 | 0.74 | KCNH2 (0.41) | — | |
| SCHEMBL20985797 | 0.73 | MAPT (0.31) | — | |
| SCHEMBL583005 | 0.72 | SIGMAR1 (0.37) | — | |
| SCHEMBL27845276 | 0.72 | HDAC3 (0.40) | — | |
| SCHEMBL20985751 | 0.71 | RAB9A (0.32) | — | |
| SCHEMBL29809465 | 0.69 | BRD4 (0.37) | — | |
| SCHEMBL28796334 | 0.67 | HDAC3 (0.31) | — |
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 |