⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9976519 | 0.73 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL12170101 | 0.68 | KMT2A (0.38) | — | |
| SCHEMBL15249167 | 0.68 | MEN1 (0.39) | — | |
| SCHEMBL18083077 | 0.68 | MAPT (0.43) | — | |
| SCHEMBL20630123 | 0.64 | TXNRD1 (0.33) | — | |
| SCHEMBL22667239 | 0.64 | CA1 (0.30) | — | |
| SCHEMBL21569645 | 0.64 | MAPT (0.47) | — | |
| SCHEMBL22000860 | 0.64 | MAOA (0.36) | — | |
| SCHEMBL21525935 | 0.63 | — | — | |
| SCHEMBL2726241 | 0.63 | PTPN11 (0.44) | — |
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-10793584-B2 | Naphthobischalcogenadiazole derivative and production method therefor | OSAKA UNIVERSITY (JP) | 2020-10-06 | — | — | US | disclosed |
| US-20190337966-A1 | NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR | OSAKA UNIVERSITY (JP) | 2019-11-07 | — | — | US | disclosed |
| EP-3564245-A1 | NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR | Osaka University (JP) | 2019-11-06 | — | — | EP | disclosed |