⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6294540 | 0.84 | GPR119 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6294522 | 0.82 | GPR119 (0.32) | — | |
| SCHEMBL6674529 | 0.77 | GPR119 (0.30) | — | |
| SCHEMBL6293277 | 0.69 | MAPT (0.30) | — | |
| SCHEMBL18734478 | 0.65 | METAP1 (0.35) | — | |
| SCHEMBL13899831 | 0.64 | — | — | |
| SCHEMBL13152990 | 0.63 | — | — | |
| SCHEMBL15717523 | 0.63 | METAP1 (0.33) | — | |
| SCHEMBL4667157 | 0.62 | METAP1 (0.30) | — | |
| SCHEMBL14285870 | 0.62 | TP53 (0.30) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6890959-B2 | Aminomethyl-phenyl-cyclohexanone derivatives | GRUENENTHAL GMBH (DE) | 2005-05-10 | — | — | US | disclosed |
| EP-1369417-A1 | Acridine derivatives | Grünenthal GmbH (DE) | 2003-12-10 | — | — | EP | disclosed |
| EP-0970949-B1 | Acridine derivatives | GRUENENTHAL GMBH (DE) | 2003-08-20 | — | — | EP | disclosed |
| US-20030096811-A1 | Aminomethyl-phenyl-cyclohexanone derivatives | GRUENENTHAL GMBH (DE) | 2003-05-22 | — | — | US | disclosed |
| US-RE37355-E1 | 6-dimethylaminomethyl-1-phenyl-cyclohexane compounds as pharmaceutical active ingredients | GRUENENTHAL GMBH (DE) | 2001-09-04 | — | — | US | disclosed |
| US-6274768-B1 | 4-(DIHYDROCARBYLAMINO)-3-PHENYLCYCLOHEXANONE INTERMEDIATES | GRUENENTHAL GMBH (DE) | 2001-08-14 | — | — | US | disclosed |
| US-6077845-A | AS ANALGESIC FOR ALLEVIATING PAIN | GRUENENTHAL GMBH (DE) | 2000-06-20 | — | — | US | disclosed |
| EP-0970949-A1 | Acridine derivatives | Grünenthal GmbH (DE) | 2000-01-12 | — | — | EP | disclosed |
| EP-0753506-B1 | 6-Dimethylaminomethyl-1-phenyl-cyclo-hexane compounds as pharmaceutical agents | GRUENENTHAL GMBH (DE) | 1999-08-18 | — | — | EP | disclosed |
| EP-0753506-A1 | 6-Dimethylaminomethyl-1-phenyl-cyclo-hexane compounds as pharmaceutical agents | Grünenthal GmbH (DE) | 1997-01-15 | — | — | EP | disclosed |