⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL104329 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL29012713 | 0.92 | — | — | |
| SCHEMBL29249255 | 0.92 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL28044653 | 0.83 | — | — | |
| SCHEMBL23061698 | 0.72 | TDP1 (0.33) | — | |
| SCHEMBL13725538 | 0.72 | SLC6A4 (0.42) | — | |
| SCHEMBL2063015 | 0.72 | CACNA1F (0.32) | — | |
| SCHEMBL10005572 | 0.72 | SLC6A4 (0.42) | — | |
| SCHEMBL90103 | 0.70 | — | — | |
| SCHEMBL20389467 | 0.69 | TDP1 (0.41) | — |
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-118043332-A | Method for producing cyclic silazane compound | 信越化学工业株式会社 | 2024-05-14 | — | — | CN | disclosed |