⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2180649 | 0.70 | — | — | |
| SCHEMBL2040248 | 0.61 | — | — | |
| SCHEMBL9323505 | 0.57 | — | — | |
| SCHEMBL2178176 | 0.56 | — | — | |
| SCHEMBL17198665 | 0.56 | PDK2 (0.32) | — | |
| SCHEMBL2041077 | 0.56 | — | — | |
| SCHEMBL25340630 | 0.55 | KDM4E (0.34) | — | |
| SCHEMBL20526153 | 0.55 | KDM4E (0.39) | — | |
| SCHEMBL17198656 | 0.53 | TDP1 (0.43) | — | |
| SCHEMBL6860201 | 0.53 | — | — |
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 |