⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16536175 | 0.83 | — | — | |
| SCHEMBL11683691 | 0.81 | CES2 (0.36) | — | |
| SCHEMBL6835540 | 0.81 | SLC6A3 (0.36) | — | |
| SCHEMBL7610247 | 0.79 | LDHA (0.33) | — | |
| SCHEMBL16534958 | 0.79 | — | — | |
| SCHEMBL9754038 | 0.78 | CES1 (0.41) | — | |
| SCHEMBL19420086 | 0.77 | — | — | |
| SCHEMBL6594464 | 0.77 | — | — | |
| SCHEMBL974860 | 0.77 | — | — | |
| SCHEMBL9497220 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090137021-A1 | Anti-inflammatory medicaments | DECIPHERA PHARMACEUTICALS, LLC | 2009-05-28 | — | — | US | disclosed |
| US-20090105230-A1 | Anti-inflammatory medicaments | FLYNN DANIEL L | 2009-04-23 | — | — | US | disclosed |