⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL6908729 | 0.87 | CA1 (0.30) | — | |
| SCHEMBL15675938 | 0.84 | CA1 (0.33) | — | |
| SCHEMBL29101304 | 0.84 | CA1 (0.33) | — | |
| SCHEMBL3245383 | 0.84 | CA1 (0.33) | — | |
| SCHEMBL224098 | 0.84 | CA1 (0.33) | — | |
| SCHEMBL25199700 | 0.84 | CA1 (0.33) | — | |
| SCHEMBL6053484 | 0.72 | — | — | |
| SCHEMBL1397144 | 0.71 | CA1 (0.35) | — | |
| SCHEMBL2467543 | 0.64 | TP53 (0.40) | — | |
| SCHEMBL8459222 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1254192-B1 | ORGANOSILOXANE COMPOSITIONS | DOW CORNING SA (BE) | 2004-08-04 | — | — | EP | claimed |