⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5046890 | 1.00 | — | — | |
| SCHEMBL11746420 | 0.93 | HPGD (0.37) | — | |
| SCHEMBL13398845 | 0.93 | HPGD (0.37) | — | |
| SCHEMBL19742949 | 0.93 | HPGD (0.37) | — | |
| SCHEMBL13398843 | 0.88 | — | — | |
| SCHEMBL11671529 | 0.88 | — | — | |
| Perflexane SCHEMBL6286112 | 0.86 | HPGD (0.35) | — | |
| SCHEMBL11777433 | 0.83 | HPGD (0.39) | — | |
| SCHEMBL2235091 | 0.81 | HPGD (0.38) | — | |
| SCHEMBL23416875 | 0.80 | — | — |
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-20100081693-A1 | THIADIAZOLE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-04-01 | — | — | US | disclosed |