⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10099627 | 0.88 | — | — | |
| Desacylcynaropicrin SCHEMBL1712162 | 0.71 | MAPT (0.33) | — | |
| Desacylcynaropicrin SCHEMBL10307509 | 0.71 | MAPT (0.33) | — | |
| SCHEMBL17087014 | 0.69 | — | — | |
| SCHEMBL10099624 | 0.69 | — | — | |
| SCHEMBL22878264 | 0.66 | — | — | |
| SCHEMBL22878267 | 0.62 | — | — | |
| SCHEMBL22877988 | 0.62 | MAPK1 (0.41) | — | |
| SCHEMBL12459727 | 0.62 | MAPK1 (0.41) | — | |
| Isozaluzanin C SCHEMBL24453721 | 0.61 | PKM (0.40) | — |
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-7678904-B2 | or to treat autoimmune and inflammatory disorders; improved water solubility characteristics | UNIVERSITY OF KENTUCKY (US) | 2010-03-16 | — | — | US | disclosed |