⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5027912 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL11823430 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL7646639 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL6192527 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL2252660 | 0.71 | POLB (0.30) | — | |
| SCHEMBL5027865 | 0.67 | F10 (0.33) | — | |
| SCHEMBL28648634 | 0.67 | — | — | |
| SCHEMBL8578338 | 0.65 | — | — | |
| SCHEMBL913935 | 0.62 | BRD4 (0.33) | — | |
| SCHEMBL23200689 | 0.61 | — | — |
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-2001005792-A9 | ANTI-INFLAMMATORY OXO DERIVATIVES AND HYDROXY DERIVATIVES OF PYRROLIZINES, AND THEIR PHARMACEUTICAL USE | MERCKLE GMBH (DE) | 2002-08-29 | — | — | WO | disclosed |