⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11023812 | 0.80 | — | — | |
| SCHEMBL791419 | 0.69 | — | — | |
| SCHEMBL1697663 | 0.65 | KCNJ1 (0.37) | — | |
| SCHEMBL9798631 | 0.65 | EGFR (0.34) | — | |
| SCHEMBL12426562 | 0.64 | — | — | |
| SCHEMBL4705385 | 0.62 | — | — | |
| SCHEMBL1191060 | 0.61 | EGFR (0.41) | — | |
| SCHEMBL5243367 | 0.60 | — | — | |
| SCHEMBL20144423 | 0.59 | BCHE (0.36) | — | |
| SCHEMBL17408868 | 0.59 | KCNJ1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100292188-A1 | Compounds Comprising A Cyclobutoxy Group | UCB PHARMA S.A. (BE) | 2010-11-18 | — | — | US | disclosed |
| EP-2238144-A1 | COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP | UCB Pharma, S.A. (BE) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009092764-A1 | COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP | UCB PHARMA, S.A. (BE) | 2009-07-30 | — | — | WO | disclosed |