⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13768471 | 0.93 | MAOA (0.63) | — | |
| SCHEMBL8852086 | 0.90 | — | — | |
| SCHEMBL5157880 | 0.86 | CA12 (0.52) | — | |
| SCHEMBL9414616 | 0.85 | PAOX (0.41) | — | |
| SCHEMBL27629912 | 0.80 | — | — | |
| Spermine SCHEMBL625285 | 0.78 | PAOX (0.69) | — | |
| Spermine SCHEMBL7261475 | 0.78 | PAOX (0.69) | — | |
| Spermine SCHEMBL6422290 | 0.78 | PAOX (0.69) | — | |
| SCHEMBL14216614 | 0.78 | — | — | |
| SCHEMBL6701235 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019234243-A1 | NOVEL COMPOUNDS FOR DIAGNOSIS | AC IMMUNE SA (CH) | 2019-12-12 | — | — | WO | disclosed |
| EP-1814848-B9 | 2,3,4-SUBSTITUTED-CYCLOPENTANONES AS THERAPEUTIC AGENTS | ALLERGAN INC (US) | 2011-12-21 | — | — | EP | disclosed |
| EP-1814848-B1 | 2,3,4-SUBSTITUTED-CYCLOPENTANONES AS THERAPEUTIC AGENTS | ALLERGAN INC (US) | 2010-07-28 | — | — | EP | disclosed |