⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9822687 | 0.90 | CNR1 (0.30) | — | |
| SCHEMBL9822894 | 0.87 | PARP1 (0.30) | — | |
| SCHEMBL9822814 | 0.87 | HTR3A (0.37) | — | |
| Fumaric Acid SCHEMBL9866819 | 0.83 | HTR3A (0.35) | — | |
| Fumaric Acid SCHEMBL9866830 | 0.83 | HTR3A (0.35) | — | |
| SCHEMBL9822981 | 0.82 | HTR3A (0.42) | — | |
| SCHEMBL10368616 | 0.81 | — | — | |
| SCHEMBL9822741 | 0.76 | — | — | |
| SCHEMBL9822842 | 0.75 | ALDH1A1 (0.31) | — | |
| Methane SCHEMBL9867060 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0231139-B1 | DIHYDROBENZOFURANE AND CHROMANE CARBOXAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS NEUROLEPTICS | Laboratoires DELAGRANGE (FR) | 1991-12-04 | — | — | EP | claimed |
| US-5006570-A | Dihydrobenzofuran- and chroman-carboxamide derivatives, processes for the preparation thereof and use thereof as neuroleptics | LABORATOIRES DELAGRANGE (FR) | 1991-04-09 | — | — | US | claimed |
| US-5006570-A | Dihydrobenzofuran- and chroman-carboxamide derivatives, processes for the preparation thereof and use thereof as neuroleptics | LABORATOIRES DELAGRANGE (FR) | 1991-04-09 | — | — | US | disclosed |