⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14653055 | 0.97 | SIGMAR1 (0.34) | — | |
| SCHEMBL4254639 | 0.97 | SIGMAR1 (0.34) | — | |
| SCHEMBL7166987 | 0.88 | — | — | |
| SCHEMBL8926775 | 0.88 | — | — | |
| SCHEMBL29860701 | 0.82 | ADH1B (0.36) | — | |
| SCHEMBL10482355 | 0.81 | — | — | |
| SCHEMBL4019383 | 0.77 | CHRM1 (0.35) | — | |
| SCHEMBL4658505 | 0.74 | — | — | |
| SCHEMBL28216071 | 0.74 | ADH1B (0.37) | — | |
| SCHEMBL5545187 | 0.74 | SIGMAR1 (0.38) | — |
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-2252612-B1 | HETEROCYCLIC COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS | IRM LLC (BM) | 2012-03-28 | — | — | EP | disclosed |