⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4568690 | 1.00 | — | — | |
| SCHEMBL15248001 | 0.89 | ESR1 (0.32) | — | |
| SCHEMBL15247990 | 0.89 | ESR1 (0.32) | — | |
| SCHEMBL4568696 | 0.88 | — | — | |
| SCHEMBL4568629 | 0.87 | — | — | |
| SCHEMBL4568684 | 0.84 | MLNR (0.30) | — | |
| SCHEMBL4568698 | 0.83 | — | — | |
| SCHEMBL4568688 | 0.83 | — | — | |
| SCHEMBL4568686 | 0.83 | — | — | |
| SCHEMBL15452263 | 0.80 | KDM4E (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8308996-B2 | Chromene compound | TOKUYAMA CORPORATION (JP) | 2012-11-13 | — | — | US | disclosed |
| US-20120121934-A1 | CHROMENE COMPOUND | TOKUYAMA CORPORATION (JP) | 2012-05-17 | — | — | US | disclosed |