⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2178140 | 0.80 | — | — | |
| SCHEMBL2180961 | 0.78 | CYP1A1 (0.32) | — | |
| SCHEMBL2179001 | 0.77 | — | — | |
| SCHEMBL2180070 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL2176113 | 0.74 | — | — | |
| SCHEMBL2177955 | 0.74 | — | — | |
| SCHEMBL2180095 | 0.74 | — | — | |
| SCHEMBL2180024 | 0.74 | RXRA (0.34) | — | |
| SCHEMBL2177192 | 0.73 | MAPT (0.32) | — | |
| SCHEMBL28704939 | 0.73 | — | — |
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 |