⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6429793 | 0.83 | — | — | |
| SCHEMBL1555047 | 0.83 | — | — | |
| SCHEMBL10586685 | 0.81 | — | — | |
| SCHEMBL6469797 | 0.78 | CYP1B1 (0.30) | — | |
| SCHEMBL27572046 | 0.75 | — | — | |
| SCHEMBL1396502 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL4060984 | 0.73 | — | — | |
| Hydrogen Sulfide SCHEMBL27603487 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL28422122 | 0.72 | — | — | |
| SCHEMBL851507 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103459385-B | IL17 and the IFN-γ being used for the treatment of autoimmune inflammation suppresses | 4SC DISCOVERY GMBH (DE) | 2015-08-05 | — | — | CN | disclosed |