⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10717381 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL10469800 | 0.76 | CA2 (0.33) | — | |
| SCHEMBL6528896 | 0.72 | KDM4E (0.36) | — | |
| SCHEMBL8593138 | 0.69 | — | — | |
| SCHEMBL2489037 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL7239582 | 0.67 | — | — | |
| SCHEMBL11283344 | 0.65 | — | — | |
| SCHEMBL3800401 | 0.65 | — | — | |
| SCHEMBL16701357 | 0.65 | KDM4E (0.33) | — | |
| SCHEMBL11873656 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6284447-B1 | CONTAINING 2-OXOBENZOFURAN COMPOUND | AGFA-GEVAERT (BE) | 2001-09-04 | — | — | US | disclosed |