⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5643289 | 0.75 | — | — | |
| SCHEMBL9519124 | 0.75 | — | — | |
| Alcohol SCHEMBL17508806 | 0.74 | KDM4E (0.36) | — | |
| SCHEMBL160461 | 0.73 | — | — | |
| SCHEMBL183124 | 0.73 | — | — | |
| SCHEMBL23567059 | 0.73 | — | — | |
| SCHEMBL10001111 | 0.73 | — | — | |
| SCHEMBL7599645 | 0.73 | — | — | |
| SCHEMBL6050025 | 0.71 | — | — | |
| Water SCHEMBL27897235 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010131146-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | claimed |
| WO-2010131145-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | claimed |
| WO-2010131147-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | claimed |
| WO-2010131145-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |
| WO-2010131146-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |
| WO-2010131147-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |