⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30307497 | 1.00 | — | — | |
| SCHEMBL23229268 | 0.77 | — | — | |
| SCHEMBL18011732 | 0.77 | — | — | |
| SCHEMBL18570504 | 0.77 | — | — | |
| SCHEMBL21538908 | 0.73 | — | — | |
| SCHEMBL17056478 | 0.73 | — | — | |
| SCHEMBL23890477 | 0.73 | — | — | |
| SCHEMBL16629278 | 0.69 | — | — | |
| SCHEMBL22143199 | 0.69 | — | — | |
| SCHEMBL15549831 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023109959-A1 | CDK9 INHIBITOR AND USE THEREOF | 药捷安康(南京)科技股份有限公司 | 2023-06-22 | — | — | WO | disclosed |
| WO-2023072026-A1 | SARM1 MODULATORS, PREPARATIONS, AND USES THEREOF | Sironax Ltd. (KY) | 2023-05-04 | — | — | WO | disclosed |
| WO-2022115620-A1 | 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | SAGE THERAPEUTICS, INC. (US) | 2022-06-02 | — | — | WO | disclosed |
| WO-2022095971-A1 | SPIRO HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海医药集团股份有限公司 | 2022-05-12 | — | — | WO | disclosed |
| WO-2017012647-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | GALAPAGOS NV (BE) | 2017-01-26 | — | — | WO | disclosed |