⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4969447 | 0.74 | — | — | |
| SCHEMBL20463145 | 0.70 | — | — | |
| SCHEMBL1081787 | 0.69 | — | — | |
| SCHEMBL23930386 | 0.63 | — | — | |
| SCHEMBL27257151 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL10663969 | 0.62 | — | — | |
| SCHEMBL24395075 | 0.61 | — | — | |
| SCHEMBL20792914 | 0.61 | — | — | |
| SCHEMBL8757972 | 0.60 | — | — | |
| SCHEMBL4821993 | 0.60 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2448896-B1 | METHOD OF PREPARING 1-HYDROXY-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE | MERZ PHARMA GMBH & CO KGAA (DE) | 2014-03-12 | — | — | EP | disclosed |
| EP-2448908-B1 | METHOD OF PREPARING NERAMEXANE | MERZ PHARMA GMBH & CO KGAA (DE) | 2013-09-18 | — | — | EP | disclosed |
| US-20130123541-A1 | METHOD OF PREPARING 3,3,5,5-TETRAMETHYLCYCLOHEXANONE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2013-05-16 | — | — | US | disclosed |
| EP-2448910-B1 | METHOD OF PREPARING NERAMEXANE | MERZ PHARMA GMBH & CO KGAA (DE) | 2013-05-15 | — | — | EP | disclosed |
| US-20120130130-A1 | METHOD OF PREPARING NERAMEXANE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2012-05-24 | — | — | US | disclosed |
| US-20120123166-A1 | METHOD OF PREPARING 1-HYDROXY-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2012-05-17 | — | — | US | disclosed |
| US-20120116125-A1 | METHOD OF PREPARING NERAMEXANE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2012-05-10 | — | — | US | disclosed |
| EP-2448908-A1 | METHOD OF PREPARING NERAMEXANE | Merz Pharma GmbH & Co. KGaA (DE) | 2012-05-09 | — | — | EP | disclosed |
| EP-2448896-A1 | METHOD OF PREPARING 1-HYDROXY-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE | Merz Pharma GmbH & Co. KGaA (DE) | 2012-05-09 | — | — | EP | disclosed |
| EP-2448901-A1 | METHOD OF PREPARING 3,3,5,5-TETRAMETHYLCYCLOHEXANONE | Merz Pharma GmbH & Co. KGaA (DE) | 2012-05-09 | — | — | EP | disclosed |
| EP-2448910-A1 | METHOD OF PREPARING NERAMEXANE | Merz Pharma GmbH & Co. KGaA (DE) | 2012-05-09 | — | — | EP | disclosed |
| WO-2011000538-A1 | METHOD OF PREPARING NERAMEXANE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2011-01-06 | — | — | WO | disclosed |
| WO-2011000539-A1 | METHOD OF PREPARING NERAMEXANE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2011-01-06 | — | — | WO | disclosed |
| WO-2011000536-A1 | METHOD OF PREPARING 1-HYDROXY-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2011-01-06 | — | — | WO | disclosed |
| WO-2011000540-A1 | METHOD OF PREPARING 3,3,5,5-TETRAMETHYLCYCLOHEXANONE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2011-01-06 | — | — | WO | disclosed |