⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31172828 | 0.85 | — | — | |
| SCHEMBL6216318 | 0.83 | — | — | |
| SCHEMBL15532995 | 0.75 | — | — | |
| SCHEMBL31172812 | 0.74 | — | — | |
| SCHEMBL31172959 | 0.73 | — | — | |
| SCHEMBL585092 | 0.71 | CYP17A1 (0.36) | — | |
| SCHEMBL20586469 | 0.70 | DDB1 (0.33) | — | |
| SCHEMBL14249653 | 0.70 | — | — | |
| SCHEMBL31173066 | 0.70 | — | — | |
| SCHEMBL31172934 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118908979-A | SIRT3 novel inhibitor and application thereof in AML therapeutic drug | 深圳大学 | 2024-11-08 | — | — | CN | disclosed |
| EP-3805234-B1 | AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | GUANGZHOU HENOVCOM BIOSCIENCE CO LTD (CN) | 2024-09-04 | — | — | EP | disclosed |
| US-11679108-B2 | Aromatic heterocyclic compound, and pharmaceutical composition and use thereof | GUANGZHOU HENOVCOM BIOSCIENCE CO., LTD. (CN) | 2023-06-20 | — | — | US | disclosed |
| US-20220088008-A1 | AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | GUANGZHOU HENOVCOM BIOSCIENCE CO., LTD. (CN) | 2022-03-24 | — | — | US | disclosed |
| EP-3805234-A1 | AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | Guangzhou Henovcom Bioscience Co., Ltd. (CN) | 2021-04-14 | — | — | EP | disclosed |
| US-20070225492-A1 | 3,6-Diazabicyclo[3.1.1]Heptane Derivatives with Analgesic Activity | UNIVERSITA' DEGLI STUDI DI MILANO (IT) | 2007-09-27 | — | — | US | disclosed |