⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL904784 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL4984276 | 0.93 | — | — | |
| Magnesium SCHEMBL31472238 | 0.93 | — | — | |
| SCHEMBL29597118 | 0.84 | — | — | |
| SCHEMBL5712208 | 0.78 | TSHR (0.47) | — | |
| SCHEMBL1553372 | 0.76 | — | — | |
| SCHEMBL28421175 | 0.76 | — | — | |
| Water SCHEMBL11361709 | 0.73 | — | — | |
| Tetrahydrofuran SCHEMBL27896184 | 0.71 | ALDH1A1 (0.47) | — | |
| SCHEMBL321725 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2788326-B1 | N-(PYRID-4-YL)AMIDES AND N-(PYRIMIDIN-4-YL)AMIDES AND THEIR PHARMACEUTICAL AND COSMETIC USE | GALDERMA RES & DEV (FR) | 2019-04-24 | — | — | EP | disclosed |