⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11417626 | 0.77 | — | — | |
| SCHEMBL11038811 | 0.74 | — | — | |
| SCHEMBL2070362 | 0.74 | — | — | |
| SCHEMBL10504952 | 0.73 | — | — | |
| SCHEMBL13279001 | 0.70 | — | — | |
| SCHEMBL11845047 | 0.70 | — | — | |
| SCHEMBL12346063 | 0.70 | — | — | |
| SCHEMBL12354398 | 0.70 | KEAP1 (0.45) | — | |
| SCHEMBL2036437 | 0.67 | KDM4E (0.33) | — | |
| SCHEMBL11422189 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009146218-A2 | COMPOUNDS INCLUDING AN ANTI-INFLAMMATORY PHARMACORE AND METHODS OF USE | REATA PHARMACEUTICALS, INC. (US) | 2009-12-03 | — | — | WO | disclosed |