⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3402434 | 0.78 | — | — | |
| SCHEMBL4099448 | 0.76 | — | — | |
| SCHEMBL3400838 | 0.73 | — | — | |
| SCHEMBL4094812 | 0.69 | — | — | |
| SCHEMBL3406577 | 0.68 | OPRM1 (0.33) | — | |
| SCHEMBL3406552 | 0.68 | — | — | |
| SCHEMBL3400871 | 0.67 | OPRL1 (0.46) | — | |
| SCHEMBL3404548 | 0.65 | HTR2A (0.41) | — | |
| SCHEMBL4100472 | 0.64 | OPRM1 (0.41) | — | |
| SCHEMBL8242740 | 0.62 | SMN1; SMN2 (0.35) | — |
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-B1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN | GRUENENTHAL GMBH (DE) | 2014-05-14 | — | — | EP | disclosed |
| 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 |