⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7741012 | 0.89 | — | — | |
| SCHEMBL1485907 | 0.89 | — | — | |
| SCHEMBL43248 | 0.89 | — | — | |
| SCHEMBL20104825 | 0.89 | — | — | |
| SCHEMBL7095956 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL18662816 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL7002319 | 0.87 | — | — | |
| SCHEMBL42115 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL7307173 | 0.85 | — | — | |
| SCHEMBL1492690 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7476763-B2 | Oxo-substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2009-01-13 | — | — | US | disclosed |
| US-20070088034-A1 | Oxo-substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-04-19 | — | — | US | disclosed |