⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8800439 | 0.84 | — | — | |
| SCHEMBL8801218 | 0.78 | — | — | |
| SCHEMBL8800429 | 0.78 | — | — | |
| SCHEMBL8800267 | 0.77 | HRH4 (0.30) | — | |
| SCHEMBL8801698 | 0.76 | — | — | |
| SCHEMBL8800783 | 0.73 | — | — | |
| SCHEMBL8800160 | 0.70 | CA12 (0.39) | — | |
| SCHEMBL8800591 | 0.62 | — | — | |
| SCHEMBL2419800 | 0.55 | ADRA2C (0.39) | — | |
| SCHEMBL3258715 | 0.54 | ALDH1A1 (0.32) | — |
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-0580916-B1 | N(1) substituted pyrazino [2,3-c]-1,2,6-thiadiazine 2,2-dioxides and their use as pharmaceuticals | PRODESFARMA SA (ES) | 1997-03-05 | — | — | EP | disclosed |