⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11029601 | 0.80 | — | — | |
| SCHEMBL4973339 | 0.72 | — | — | |
| SCHEMBL4971743 | 0.72 | — | — | |
| SCHEMBL1048303 | 0.72 | — | — | |
| SCHEMBL5463 | 0.72 | — | — | |
| SCHEMBL8716070 | 0.69 | — | — | |
| Methylene Chloride SCHEMBL27828093 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL4973822 | 0.67 | — | — | |
| SCHEMBL9148242 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL8072914 | 0.65 | TSHR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0066232-B1 | PROCESS FOR THE PREPARATION OF SILYL ISOCYANATES | BAYER AG (DE) | 1985-07-31 | — | — | EP | disclosed |
| US-4405803-A | Process for the preparation of silylisocyanates | BAYER AKTIENGESELLSCHAFT (DE) | 1983-09-20 | — | — | US | disclosed |
| EP-0066232-A2 | Process for the preparation of silyl isocyanates | BAYER AG (DE) | 1982-12-08 | — | — | EP | disclosed |