⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2178239 | 0.80 | — | — | |
| SCHEMBL2179242 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL1032886 | 0.77 | F2RL3 (0.31) | — | |
| SCHEMBL1031414 | 0.74 | GRIN1 (0.30) | — | |
| SCHEMBL2180070 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL2175980 | 0.74 | — | — | |
| SCHEMBL2175729 | 0.74 | NQO1 (0.35) | — | |
| SCHEMBL1035285 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL1034447 | 0.73 | HRH4 (0.30) | — | |
| SCHEMBL2179692 | 0.72 | RXRA (0.31) | — |
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 |