⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL58557 | 0.97 | — | — | |
| SCHEMBL29728792 | 0.97 | — | — | |
| SCHEMBL10799564 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL22263479 | 0.93 | — | — | |
| Fluoride SCHEMBL28606152 | 0.93 | — | — | |
| Iodide SCHEMBL29022383 | 0.93 | — | — | |
| Nitrogen SCHEMBL27631396 | 0.88 | ALDH1A1 (0.45) | — | |
| SCHEMBL28083173 | 0.88 | ALDH1A1 (0.45) | — | |
| SCHEMBL10387981 | 0.85 | ALDH1A1 (0.72) | — | |
| SCHEMBL22789551 | 0.85 | ALDH1A1 (0.72) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112334319-A | Thermosensitive recording material | 王子控股株式会社 | 2021-02-05 | — | — | CN | disclosed |