⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL492196 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28741632 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL5043231 | 0.94 | — | — | |
| SCHEMBL28256222 | 0.81 | TSHR (0.36) | — | |
| SCHEMBL28032364 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL9733202 | 0.75 | — | — | |
| Nitroacetic Acid SCHEMBL19995636 | 0.73 | LMNA (0.50) | — | |
| SCHEMBL3811251 | 0.71 | MEN1 (0.41) | — | |
| SCHEMBL3650467 | 0.71 | — | — | |
| SCHEMBL28356166 | 0.71 | — | — |
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-1068733-A | Periodontal disease oral cavity protective liquid (canned Self-spraying) | LI YUNZHANG (CN) | 1993-02-10 | — | — | CN | claimed |