⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29255684 | 0.77 | — | — | |
| SCHEMBL30615 | 0.74 | — | — | |
| SCHEMBL12926030 | 0.74 | — | — | |
| SCHEMBL14039865 | 0.70 | — | — | |
| SCHEMBL16200359 | 0.70 | — | — | |
| SCHEMBL14044114 | 0.70 | — | — | |
| SCHEMBL13184145 | 0.70 | APAF1 (0.36) | — | |
| SCHEMBL275172 | 0.69 | — | — | |
| SCHEMBL14043734 | 0.69 | CSNK2A1 (0.36) | — | |
| SCHEMBL22437556 | 0.67 | SMN1; SMN2 (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1720545-B1 | BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES | CHEMOCENTRYX INC (US) | 2014-10-29 | — | — | EP | disclosed |
| US-7589199-B2 | Substituted piperazines | CHEMOCENTRYX, INC. (US) | 2009-09-15 | — | — | US | disclosed |