⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11814389 | 0.77 | NOS3 (0.33) | — | |
| SCHEMBL13576631 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL6593076 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL1634401 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL4258705 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL4619843 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL1634176 | 0.69 | — | — | |
| SCHEMBL7627448 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL10844443 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL11788060 | 0.65 | ALDH1A1 (0.44) | — |
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-7288671-B2 | Interleukin-1 and tumor necrosis factor-α modulators, synthesis of said modulators and their enantiomers and methods of using said modulators | NEREUS PHARMACEUTICALS, INC. (US) | 2007-10-30 | — | — | US | disclosed |