⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4088768 | 0.81 | — | — | |
| SCHEMBL3407606 | 0.79 | — | — | |
| SCHEMBL4094812 | 0.76 | — | — | |
| SCHEMBL4089671 | 0.71 | GPR119 (0.31) | — | |
| SCHEMBL22967786 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL22967471 | 0.67 | — | — | |
| SCHEMBL25071693 | 0.67 | JAK2 (0.30) | — | |
| SCHEMBL15214390 | 0.67 | JAK2 (0.30) | — | |
| SCHEMBL12376552 | 0.65 | HTT (0.33) | — | |
| SCHEMBL8251638 | 0.64 | THRA (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2254864-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN | Grünenthal GmbH (DE) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009106307-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN | Grünenthal GmbH (DE) | 2009-09-03 | — | — | WO | disclosed |
| US-20090215725-A1 | Substituted 4-aminocyclohexane derivatives | GRUNENTHAL GMBH (DE) | 2009-08-27 | — | — | US | disclosed |