⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6909386 | 0.74 | — | — | |
| SCHEMBL1262393 | 0.68 | — | — | |
| SCHEMBL23240903 | 0.65 | — | — | |
| SCHEMBL18432829 | 0.64 | NCF1 (0.35) | — | |
| SCHEMBL17411796 | 0.64 | PKM (0.33) | — | |
| SCHEMBL21287059 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL8721392 | 0.63 | — | — | |
| SCHEMBL955562 | 0.61 | — | — | |
| SCHEMBL5864241 | 0.60 | — | — | |
| SCHEMBL12663292 | 0.58 | NOS3 (0.37) | — |
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-2170058-B1 | CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES | MERCK SHARP & DOHME (US) | 2013-07-03 | — | — | EP | disclosed |