⚠ 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 | |
|---|---|---|---|---|
| Benzo[D]Isoxazole SCHEMBL8438 | 0.97 | — | — | |
| Benzo[D]Isoxazole SCHEMBL29366929 | 0.97 | — | — | |
| Benzo[D]Isoxazole SCHEMBL1355530 | 0.97 | — | — | |
| Benzo[D]Isoxazole SCHEMBL1982876 | 0.95 | TDO2 (0.34) | — | |
| Benzo[D]Isoxazole SCHEMBL29184280 | 0.95 | TDO2 (0.34) | — | |
| Benzo[D]Isoxazole SCHEMBL5158032 | 0.95 | TDO2 (0.34) | — | |
| Benzo[D]Isoxazole SCHEMBL27762814 | 0.95 | TDO2 (0.34) | — | |
| Benzo[D]Isoxazole SCHEMBL28482344 | 0.95 | TDO2 (0.39) | — | |
| Benzo[D]Isoxazole SCHEMBL21596877 | 0.95 | TDO2 (0.34) | — | |
| Benzo[D]Isoxazole SCHEMBL5778868 | 0.95 | TDO2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101691378-A | Benzo or naphtha isoxazolidine derivatives and synthesis method thereof | UNIV SHANGHAI | 2010-04-07 | — | — | CN | disclosed |