⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2017258 | 0.76 | — | — | |
| SCHEMBL4369973 | 0.76 | S1PR2 (0.38) | — | |
| SCHEMBL4368152 | 0.70 | — | — | |
| SCHEMBL2688419 | 0.69 | CYP2C9 (0.46) | — | |
| SCHEMBL2688418 | 0.69 | CYP2C9 (0.46) | — | |
| SCHEMBL2688415 | 0.69 | CYP2C9 (0.46) | — | |
| SCHEMBL13523632 | 0.69 | — | — | |
| SCHEMBL4370975 | 0.68 | S1PR2 (0.40) | — | |
| SCHEMBL4370230 | 0.68 | S1PR2 (0.37) | — | |
| Hydrochloric Acid SCHEMBL2689322 | 0.68 | TSHR (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023274324-A9 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-10-26 | — | — | WO | disclosed |
| WO-2023134465-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-07-20 | — | — | WO | disclosed |
| WO-2023083269-A1 | AROMATIC HETEROCYCLIC COMPOUND AND APPLICATION THEREOF | 中国科学院上海药物研究所 | 2023-05-19 | — | — | WO | disclosed |
| WO-2023274324-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-01-05 | — | — | WO | disclosed |