⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7792144 | 0.73 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL4738317 | 0.73 | KMT2A (0.40) | — | |
| SCHEMBL7793035 | 0.71 | GAA (0.37) | — | |
| SCHEMBL7792096 | 0.67 | CNR2 (0.40) | — | |
| SCHEMBL28626822 | 0.65 | — | — | |
| SCHEMBL7802400 | 0.65 | TSHR (0.35) | — | |
| SCHEMBL7791948 | 0.63 | IDO1 (0.34) | — | |
| SCHEMBL4982303 | 0.62 | NQO2 (0.36) | — | |
| SCHEMBL12249872 | 0.62 | MAOA (0.36) | — | |
| SCHEMBL3727746 | 0.61 | KDM1A (0.49) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20010025045-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. | 2001-09-27 | — | — | US | disclosed |
| US-6110934-A | Substituted benzamide derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-08-29 | — | — | US | disclosed |
| EP-1025087-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-08-09 | — | — | EP | disclosed |
| WO-1999021836-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-05-06 | — | — | WO | disclosed |