⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2180177 | 0.80 | PDE2A (0.31) | — | |
| SCHEMBL2177706 | 0.75 | — | — | |
| SCHEMBL2179886 | 0.75 | ENPP2 (0.31) | — | |
| SCHEMBL20554185 | 0.73 | PTGS2 (0.31) | — | |
| SCHEMBL2177515 | 0.73 | PTGS2 (0.32) | — | |
| SCHEMBL20554265 | 0.73 | — | — | |
| SCHEMBL2179257 | 0.73 | PTGS2 (0.30) | — | |
| SCHEMBL2178591 | 0.70 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL2180703 | 0.70 | PTGS2 (0.32) | — | |
| SCHEMBL2176790 | 0.70 | FABP3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110166162-A1 | 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests | BASF SE (DE) | 2011-07-07 | — | — | US | disclosed |