⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12430220 | 0.78 | — | — | |
| SCHEMBL2207013 | 0.75 | — | — | |
| SCHEMBL19320689 | 0.72 | CHRNB2 (0.30) | — | |
| SCHEMBL12430209 | 0.71 | — | — | |
| SCHEMBL12430205 | 0.69 | CHRNA4 (0.30) | — | |
| SCHEMBL12430275 | 0.68 | — | — | |
| SCHEMBL12430137 | 0.67 | — | — | |
| SCHEMBL12430184 | 0.66 | ADORA1 (0.37) | — | |
| SCHEMBL1905223 | 0.66 | — | — | |
| SCHEMBL12430213 | 0.65 | HTR2C (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7981919-B2 | Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators | ATHERSYS, INC. (US) | 2011-07-19 | — | — | US | disclosed |
| US-20090069365-A1 | Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators | BENNANI YOUSSEF L | 2009-03-12 | — | — | US | disclosed |
| US-7423056-B2 | Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators | ATHERSYS, INC. (US) | 2008-09-09 | — | — | US | disclosed |