⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2176119 | 0.76 | — | — | |
| SCHEMBL2180367 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL2176633 | 0.74 | NFKB1 (0.32) | — | |
| SCHEMBL2179338 | 0.74 | — | — | |
| SCHEMBL2177955 | 0.71 | — | — | |
| SCHEMBL2181185 | 0.71 | — | — | |
| SCHEMBL2177677 | 0.71 | HDAC4 (0.31) | — | |
| SCHEMBL2178658 | 0.71 | — | — | |
| SCHEMBL2179245 | 0.70 | — | — | |
| SCHEMBL18632352 | 0.69 | GABRA1 (0.34) | — |
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 |