⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL776977 | 0.82 | — | — | |
| SCHEMBL7094128 | 0.82 | — | — | |
| SCHEMBL250373 | 0.71 | — | — | |
| SCHEMBL17474482 | 0.71 | — | — | |
| SCHEMBL868239 | 0.69 | — | — | |
| SCHEMBL17474481 | 0.67 | — | — | |
| SCHEMBL16792400 | 0.65 | — | — | |
| SCHEMBL2904836 | 0.61 | — | — | |
| SCHEMBL17474474 | 0.61 | — | — | |
| SCHEMBL17474472 | 0.57 | — | — |
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-20030065189-A1 | Processes for producing 4-substituted benzopyran derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-04-03 | — | — | US | disclosed |
| US-6455708-B1 | SUCH AS 2,2-BIS(FLUOROMETHYL)-N-(2-CYANOETHYL)-6-TRIFLUOROMETHYL-2H-1-BENZOPYRAN-4 -CARBOXAMIDE; USEFUL AS MEDICINES, AGRICHEMICALS AND COSMETICS, AND CHEMICAL INTERMEDIATES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-09-24 | — | — | US | disclosed |
| EP-1120412-A1 | PROCESSES FOR THE PREPARATION OF 4-SUBSTITUTED BENZOPYRAN DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2001-08-01 | — | — | EP | disclosed |