⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2265756 | 0.82 | — | — | |
| SCHEMBL7816611 | 0.76 | HDAC1 (0.41) | — | |
| SCHEMBL22530243 | 0.76 | HDAC1 (0.38) | — | |
| SCHEMBL30685417 | 0.73 | — | — | |
| SCHEMBL28301203 | 0.73 | — | — | |
| SCHEMBL21995669 | 0.73 | HDAC1 (0.40) | — | |
| SCHEMBL30756133 | 0.73 | HDAC1 (0.40) | — | |
| SCHEMBL25153634 | 0.71 | — | — | |
| SCHEMBL5718179 | 0.71 | — | — | |
| SCHEMBL2633427 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119233971-A | Pyridazine compound, preparation method and application thereof | 上海华汇拓医药科技有限公司 | 2024-12-31 | — | — | CN | disclosed |
| US-20240368150-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | HOFFMANN-LA ROCHE INC. (US) | 2024-11-07 | — | — | US | disclosed |
| EP-4291558-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2023-12-20 | — | — | EP | disclosed |
| WO-2023231997-A1 | PYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海华汇拓医药科技有限公司 | 2023-12-07 | — | — | WO | disclosed |
| CN-116964048-A | Bicyclic tetrahydroazepine derivatives for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2023-10-27 | — | — | CN | disclosed |
| WO-2022171745-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2022-08-18 | — | — | WO | disclosed |
| CN-104364249-B | Triazol compound as PDE10 inhibitor | 霍夫曼-拉罗奇有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-105339355-B | Novel CYP17 inhibitor/antiandrogen | 奥赖恩公司 | 2018-02-27 | — | — | CN | disclosed |
| EP-2515657-A1 | TYROSINE KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-10-31 | — | — | EP | disclosed |
| US-20120264735-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2012-10-18 | — | — | US | disclosed |
| US-20120264735-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2012-10-18 | — | — | US | disclosed |
| US-20120264735-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2012-10-18 | — | — | US | disclosed |
| WO-2011084402-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | WO | disclosed |