⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11515478 | 0.84 | — | — | |
| SCHEMBL6829967 | 0.79 | MAOA (0.31) | — | |
| SCHEMBL1404288 | 0.72 | — | — | |
| SCHEMBL3986394 | 0.70 | MAOA (0.33) | — | |
| SCHEMBL12309700 | 0.69 | MAOA (0.37) | — | |
| SCHEMBL10460910 | 0.64 | ALDH1A1 (0.34) | — | |
| SCHEMBL31121665 | 0.64 | MAOA (0.33) | — | |
| SCHEMBL5435984 | 0.63 | MAOA (0.35) | — | |
| SCHEMBL6688550 | 0.62 | MAOA (0.35) | — | |
| SCHEMBL23531310 | 0.61 | — | — |
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-2074154-B1 | POLYMER CONJUGATES FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES | FIRMENICH & CIE (CH) | 2011-03-09 | — | — | EP | disclosed |