⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9822959 | 0.93 | DRD2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL9868759 | 0.92 | BACE1 (0.31) | — | |
| SCHEMBL10810641 | 0.80 | CA2 (0.32) | — | |
| SCHEMBL9822695 | 0.79 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL9868594 | 0.79 | BACE1 (0.30) | — | |
| SCHEMBL9866772 | 0.78 | HTR4 (0.30) | — | |
| SCHEMBL9822880 | 0.77 | PARP1 (0.32) | — | |
| SCHEMBL9868166 | 0.77 | KEAP1 (0.33) | — | |
| SCHEMBL9868152 | 0.77 | PARP1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL9869193 | 0.77 | PARP1 (0.32) | — |
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 |