⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28875909 | 0.86 | — | — | |
| SCHEMBL5702132 | 0.73 | — | — | |
| SCHEMBL9178675 | 0.71 | — | — | |
| SCHEMBL7024989 | 0.70 | — | — | |
| SCHEMBL49581 | 0.70 | LMNA (0.33) | — | |
| SCHEMBL10720675 | 0.69 | — | — | |
| SCHEMBL31505966 | 0.69 | LMNA (0.32) | — | |
| SCHEMBL1091663 | 0.69 | LMNA (0.32) | — | |
| Alcohol SCHEMBL28332559 | 0.68 | LMNA (0.33) | — | |
| SCHEMBL7026244 | 0.68 | — | — |
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-115135661-A | Organosilicon compound containing isocyanate group and process for producing organosilicon compound containing isocyanate group | 信越化学工业株式会社 | 2022-09-30 | — | — | CN | disclosed |