⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10176667 | 0.69 | PTGS2 (0.37) | — | |
| SCHEMBL10177499 | 0.68 | PTGS2 (0.35) | — | |
| SCHEMBL9520909 | 0.65 | BRD4 (0.43) | — | |
| SCHEMBL9403154 | 0.63 | — | — | |
| SCHEMBL19993198 | 0.61 | ESR1 (0.38) | — | |
| SCHEMBL19993062 | 0.60 | ESR1 (0.41) | — | |
| SCHEMBL257632 | 0.60 | APP (0.41) | — | |
| SCHEMBL16104369 | 0.60 | LMNA (0.46) | — | |
| SCHEMBL31138673 | 0.59 | USP1 (0.44) | — | |
| SCHEMBL22143497 | 0.59 | USP1 (0.44) | — |
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-2012081736-A1 | CONTINUOUS ARYCYCLIC COMPOUND | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2012-06-21 | — | — | WO | disclosed |