⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9822666 | 0.75 | KEAP1 (0.35) | — | |
| SCHEMBL9822683 | 0.70 | DRD2 (0.51) | — | |
| Hydrochloric Acid SCHEMBL9868756 | 0.69 | DRD2 (0.51) | — | |
| SCHEMBL9868293 | 0.68 | DRD2 (0.33) | — | |
| SCHEMBL9822959 | 0.68 | DRD2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL9868759 | 0.67 | BACE1 (0.31) | — | |
| SCHEMBL9868286 | 0.67 | SSTR4 (0.31) | — | |
| SCHEMBL9822699 | 0.66 | DRD2 (0.47) | — | |
| SCHEMBL9868954 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL27347878 | 0.66 | SSTR4 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 | disclosed |