⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2177694 | 0.78 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL2177722 | 0.76 | — | — | |
| SCHEMBL2176119 | 0.76 | — | — | |
| SCHEMBL2179387 | 0.74 | GABRA1 (0.31) | — | |
| SCHEMBL2175980 | 0.71 | — | — | |
| SCHEMBL2177186 | 0.69 | HTT (0.32) | — | |
| SCHEMBL7618662 | 0.69 | — | — | |
| SCHEMBL2178426 | 0.67 | — | — | |
| SCHEMBL25236942 | 0.65 | — | — | |
| SCHEMBL406240 | 0.65 | — | — |
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 |