⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9293725 | 0.97 | — | — | |
| SCHEMBL23286274 | 0.75 | — | — | |
| SCHEMBL28045976 | 0.75 | — | — | |
| SCHEMBL802570 | 0.74 | — | — | |
| SCHEMBL17858449 | 0.72 | — | — | |
| SCHEMBL14587228 | 0.72 | — | — | |
| Propionic Acid SCHEMBL27681196 | 0.71 | FFAR3 (0.53) | — | |
| Hydrochloric Acid SCHEMBL9591862 | 0.69 | — | — | |
| SCHEMBL22448479 | 0.69 | — | — | |
| SCHEMBL282985 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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-103751943-B | Fire extinguishing composition containing nitrogen-containing organic compound | 湖北及安盾消防科技有限公司 | 2020-10-13 | — | — | CN | disclosed |
| CN-101018779-A | Triazole compounds and their use as metabotropic glutamate receptor antagonists | ASTRAZENECA AB (SE) | 2007-08-15 | — | — | CN | disclosed |
| US-7217815-B2 | 2-beta -modified-6-substituted adenosine analogs and their use as antiviral agents | VALEANT PHARMACEUTICALS NORTH AMERICA (US) | 2007-05-15 | — | — | US | disclosed |
| US-7217815-B2 | 2-beta -modified-6-substituted adenosine analogs and their use as antiviral agents | VALEANT PHARMACEUTICALS NORTH AMERICA (US) | 2007-05-15 | — | — | US | disclosed |
| EP-0880499-A1 | DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997028123-A1 | DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-08-07 | — | — | WO | disclosed |