⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27997171 | 0.80 | — | — | |
| SCHEMBL161600 | 0.80 | — | — | |
| SCHEMBL2269688 | 0.78 | — | — | |
| SCHEMBL23469738 | 0.75 | — | — | |
| SCHEMBL7112554 | 0.75 | — | — | |
| SCHEMBL2584643 | 0.73 | — | — | |
| SCHEMBL2271117 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28309561 | 0.71 | EPHX1 (0.41) | — | |
| SCHEMBL12522115 | 0.71 | — | — | |
| SCHEMBL5359912 | 0.69 | SLC6A4 (0.32) | — |
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-116209420-A | Oral care antimicrobial compositions, methods of making and methods of using the same | ISP投资有限公司 | 2023-06-02 | — | — | CN | disclosed |