⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4756820 | 0.74 | — | — | |
| SCHEMBL16752164 | 0.74 | — | — | |
| SCHEMBL3124813 | 0.71 | MYC (0.40) | — | |
| SCHEMBL2185478 | 0.69 | — | — | |
| SCHEMBL12076717 | 0.65 | — | — | |
| SCHEMBL9203797 | 0.64 | — | — | |
| SCHEMBL448950 | 0.59 | — | — | |
| SCHEMBL15133166 | 0.59 | — | — | |
| SCHEMBL1187140 | 0.58 | — | — | |
| SCHEMBL7894809 | 0.58 | KCNMA1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010131146-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | claimed |
| WO-2010131146-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |