⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12522502 | 0.71 | POLB (0.30) | — | |
| SCHEMBL24413401 | 0.71 | MAPT (0.30) | — | |
| SCHEMBL22614876 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL2353431 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL14438964 | 0.69 | — | — | |
| SCHEMBL10516694 | 0.66 | — | — | |
| SCHEMBL13390428 | 0.66 | — | — | |
| SCHEMBL10020900 | 0.65 | — | — | |
| SCHEMBL11003257 | 0.64 | HSD17B10 (0.31) | — | |
| SCHEMBL18886008 | 0.64 | CA1 (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 |
|---|---|---|---|---|---|---|---|
| EP-1591437-B1 | Interleukin-1 and tumor necrosis factor-alpha modulators, syntheses of said modulators and methods of using said modulators | NEREUS PHARMACEUTICALS INC (US) | 2009-11-25 | — | — | EP | disclosed |