⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3010263 | 0.88 | — | — | |
| SCHEMBL9525874 | 0.86 | — | — | |
| SCHEMBL2125849 | 0.71 | — | — | |
| SCHEMBL5868684 | 0.71 | — | — | |
| SCHEMBL5729358 | 0.69 | — | — | |
| SCHEMBL78337 | 0.69 | MGLL (0.33) | — | |
| SCHEMBL515359 | 0.69 | MGLL (0.33) | — | |
| SCHEMBL5465961 | 0.67 | — | — | |
| SCHEMBL2575293 | 0.65 | — | — | |
| SCHEMBL136516 | 0.65 | — | — |
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-2005116015-A1 | CHROMANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS AN ANTI-INFLAMMATORY DRUG | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-12-08 | — | — | WO | disclosed |