⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3501072 | 0.69 | — | — | |
| SCHEMBL6613009 | 0.69 | — | — | |
| SCHEMBL28639462 | 0.67 | — | — | |
| SCHEMBL28163061 | 0.63 | — | — | |
| SCHEMBL7592258 | 0.61 | — | — | |
| SCHEMBL331441 | 0.60 | — | — | |
| SCHEMBL100297 | 0.60 | — | — | |
| Methylene Chloride SCHEMBL27593379 | 0.60 | — | — | |
| SCHEMBL11687830 | 0.57 | — | — | |
| SCHEMBL2851630 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-10316693-A | — | — | None | — | — | JP | disclosed |
| JP-H10316693-A | SYNTHESIS OF ORGANIC SILICON DICHLORIDE HAVING CYANO GROUP AT BETA-POSITION | KANEGAFUCHI CHEM IND CO LTD | 1998-12-02 | — | — | JP | disclosed |