⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25005443 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL17563338 | 0.78 | TSHR (0.31) | — | |
| Hydrochloric Acid SCHEMBL28947396 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL25668209 | 0.75 | — | — | |
| SCHEMBL18028288 | 0.71 | — | — | |
| SCHEMBL17697216 | 0.71 | CYP3A4 (0.30) | — | |
| SCHEMBL91090 | 0.69 | — | — | |
| SCHEMBL26532527 | 0.69 | — | — | |
| SCHEMBL21593183 | 0.67 | — | — | |
| SCHEMBL15336699 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024008909-A1 | INHIBITORS OF CORONAVIRUS | JANSSEN PHARMACEUTICA NV (BE) | 2024-01-11 | — | — | WO | disclosed |
| WO-2023283453-A1 | PHENYL ACETAMIDE BASED IL-17A MODULATORS AND USES THEREOF | DICE ALPHA, INC. (US) | 2023-01-12 | — | — | WO | disclosed |
| EP-3549933-B1 | HETEROCYCLIC COMPOUND, AND ARTHROPOD PEST CONTROL COMPOSITION CONTAINING SAME | SUMITOMO CHEMICAL CO (JP) | 2022-02-16 | — | — | EP | disclosed |