⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4112469 | 0.82 | — | — | |
| SCHEMBL4125623 | 0.78 | LMNA (0.37) | — | |
| SCHEMBL4113714 | 0.73 | EDNRA (0.36) | — | |
| SCHEMBL4121426 | 0.69 | — | — | |
| SCHEMBL4121421 | 0.69 | — | — | |
| SCHEMBL4126911 | 0.69 | — | — | |
| SCHEMBL4124779 | 0.69 | — | — | |
| SCHEMBL4126887 | 0.69 | NR1H2 (0.33) | — | |
| SCHEMBL7047147 | 0.65 | — | — | |
| SCHEMBL6156160 | 0.65 | DRD2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090318690-A1 | Benzisoxazole Compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-12-24 | — | — | US | disclosed |
| EP-2017275-A1 | BENZISOXAZOLE COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2009-01-21 | — | — | EP | disclosed |