⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10035694 | 1.00 | — | — | |
| SCHEMBL12267290 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL31503297 | 0.97 | GAA (0.36) | — | |
| Hydrochloric Acid SCHEMBL31503358 | 0.97 | GAA (0.36) | — | |
| SCHEMBL23897025 | 0.79 | — | — | |
| SCHEMBL12420361 | 0.77 | SLC7A5 (0.50) | — | |
| SCHEMBL14884433 | 0.77 | SLC7A5 (0.50) | — | |
| SCHEMBL12028795 | 0.77 | SLC7A5 (0.50) | — | |
| SCHEMBL1863987 | 0.75 | — | — | |
| SCHEMBL25015389 | 0.75 | SLC7A5 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230348493-A1 | COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) | 2023-11-02 | — | — | US | disclosed |
| US-20230023559-A1 | ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D. E. SHAW RESEARCH, LLC (US) | 2023-01-26 | — | — | US | disclosed |
| US-9428483-B2 | Prodrug of fluorine-containing amino acid | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2016-08-30 | — | — | US | disclosed |
| US-20150141669-A1 | PRODRUG OF FLUORINE-CONTAINING AMINO ACID | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2015-05-21 | — | — | US | disclosed |
| US-20120077711-A1 | Novel Ligands and Libraries of Ligands | SUNESIS PHARMACEUTICALS, INC. (US) | 2012-03-29 | — | — | US | disclosed |