⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12724717 | 0.76 | MRGPRX2 (0.36) | — | |
| SCHEMBL13313046 | 0.67 | MRGPRX2 (0.34) | — | |
| SCHEMBL3340883 | 0.65 | MRGPRX2 (0.33) | — | |
| SCHEMBL14932239 | 0.65 | MRGPRX2 (0.44) | — | |
| SCHEMBL14899408 | 0.65 | MRGPRX2 (0.30) | — | |
| SCHEMBL10154239 | 0.64 | MRGPRX2 (0.50) | — | |
| SCHEMBL20958628 | 0.61 | NCF1 (0.36) | — | |
| SCHEMBL20146775 | 0.61 | NCF1 (0.36) | — | |
| SCHEMBL21271537 | 0.59 | NCF1 (0.43) | — | |
| SCHEMBL2279449 | 0.59 | NCF1 (0.43) | — |
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-2513108-B1 | NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS | SANOFI SA (FR) | 2015-04-01 | — | — | EP | disclosed |