⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL989972 | 1.00 | — | — | |
| SCHEMBL28632671 | 1.00 | — | — | |
| Fluoride SCHEMBL9247624 | 0.97 | TP53 (0.40) | — | |
| SCHEMBL375633 | 0.87 | TP53 (0.47) | — | |
| SCHEMBL26110798 | 0.84 | TP53 (0.44) | — | |
| SCHEMBL13027056 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL11588540 | 0.79 | TP53 (0.40) | — | |
| SCHEMBL6562310 | 0.79 | TP53 (0.40) | — | |
| SCHEMBL11337345 | 0.79 | TP53 (0.40) | — | |
| SCHEMBL6115071 | 0.77 | TP53 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230399297-A1 | Novel Glutamine Analogs | JACOBIO PHARMACEUTICALS CO., LTD (CN) | 2023-12-14 | — | — | US | disclosed |
| US-20180170955-A1 | HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF | UNIVERSIDADE NOVA DE LISBOA (PT) | 2018-06-21 | — | — | US | disclosed |
| US-7544835-B2 | Carboxylic acid derivative and salt thereof | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-06-09 | — | — | US | disclosed |