⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL28056916 | 0.91 | ADH1B (0.50) | — | |
| Formic Acid SCHEMBL5072183 | 0.84 | TDP1 (0.46) | — | |
| SCHEMBL273581 | 0.84 | — | — | |
| SCHEMBL13165399 | 0.84 | SAT1 (0.39) | — | |
| SCHEMBL6019205 | 0.84 | SAT1 (0.39) | — | |
| SCHEMBL12122064 | 0.81 | ADH1B (0.35) | — | |
| SCHEMBL14872370 | 0.81 | ADH1B (0.35) | — | |
| Hydrochloric Acid SCHEMBL1165197 | 0.81 | — | — | |
| SCHEMBL15810675 | 0.80 | SAT1 (0.56) | — | |
| SCHEMBL21075903 | 0.80 | SAT1 (0.56) | — |
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-109384778-B | Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder | 赛克里翁治疗有限公司 | 2022-12-13 | — | — | CN | disclosed |