⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21194021 | 0.79 | — | — | |
| SCHEMBL21550330 | 0.79 | — | — | |
| SCHEMBL1100100 | 0.76 | KDM4E (0.42) | — | |
| SCHEMBL11829256 | 0.76 | — | — | |
| SCHEMBL1636808 | 0.76 | CNR1 (0.39) | — | |
| SCHEMBL11156922 | 0.76 | — | — | |
| SCHEMBL2128069 | 0.74 | — | — | |
| SCHEMBL9838600 | 0.74 | — | — | |
| SCHEMBL22344416 | 0.73 | KDM4E (0.46) | — | |
| SCHEMBL4670238 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111819181-A | Benzo-seven-membered heterocyclic compound, preparation method, pharmaceutical composition and application thereof | 罗欣药业(上海)有限公司 | 2020-10-23 | — | — | CN | disclosed |
| WO-2019214399-A1 | BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | 罗欣药业(上海)有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |
| CN-108069976-A | A kind of nitrogenous macrocyclic compounds, its preparation method, pharmaceutical composition and application | 山东罗欣药业集团股份有限公司 | 2018-05-25 | — | — | CN | disclosed |
| WO-2002102813-A1 | ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS FOR TREATMENT OF DIABETES | MERCK FROSST CANADA & CO. (CA) | 2002-12-27 | — | — | WO | disclosed |
| EP-1242431-A1 | AROMATIC PHOSPHONATES AS PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) INHIBITORS | Merck Frosst Canada & Co. (CA) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001046204-A1 | AROMATIC PHOSPHONATES AS PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | WO | disclosed |