⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7594259 | 0.86 | — | — | |
| SCHEMBL7764562 | 0.73 | — | — | |
| SCHEMBL11519728 | 0.71 | — | — | |
| SCHEMBL20306668 | 0.71 | — | — | |
| SCHEMBL12633923 | 0.68 | — | — | |
| SCHEMBL17735466 | 0.67 | — | — | |
| SCHEMBL3986480 | 0.67 | USP2 (0.37) | — | |
| SCHEMBL301151 | 0.67 | — | — | |
| SCHEMBL3986484 | 0.67 | USP2 (0.37) | — | |
| SCHEMBL17735464 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0894802-B1 | Silane compound | NIPPON MITSUBISHI OIL CORP (JP) | 2002-11-06 | — | — | EP | disclosed |
| EP-0894802-A2 | Silane compound | NIPPON OIL CO. LTD. (JP) | 1999-02-03 | — | — | EP | disclosed |