⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL352076 | 0.79 | HTR2C (0.34) | — | |
| SCHEMBL350288 | 0.65 | POLB (0.39) | — | |
| SCHEMBL351052 | 0.65 | MEN1 (0.42) | — | |
| SCHEMBL354475 | 0.65 | HTT (0.40) | — | |
| SCHEMBL352691 | 0.64 | KMT2A (0.39) | — | |
| SCHEMBL352608 | 0.63 | GAA (0.35) | — | |
| SCHEMBL10167449 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL10167562 | 0.62 | ALDH1A1 (0.45) | — | |
| SCHEMBL357034 | 0.62 | OGG1 (0.36) | — | |
| SCHEMBL10167451 | 0.61 | HSD17B1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2064196-B1 | 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST II | BASF SE (DE) | 2012-03-14 | — | — | EP | disclosed |