⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2474893 | 1.00 | — | — | |
| SCHEMBL12891800 | 0.81 | — | — | |
| SCHEMBL284622 | 0.73 | — | — | |
| SCHEMBL283954 | 0.71 | — | — | |
| SCHEMBL18822646 | 0.71 | — | — | |
| SCHEMBL2066403 | 0.70 | — | — | |
| SCHEMBL20624709 | 0.70 | — | — | |
| SCHEMBL13283232 | 0.70 | — | — | |
| SCHEMBL284682 | 0.70 | — | — | |
| SCHEMBL3470683 | 0.70 | ALDH1A1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2373304-A1 | 1-AMINO-ALKYLCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF MAST CELL MEDIATED DISEASES | Merz Pharma GmbH & Co. KGaA (DE) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010069595-A1 | 1-AMINO-ALKYLCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF MAST CELL MEDIATED DISEASES | MERZ PHARMA GMBH & CO. KGAA (DE) | 2010-06-24 | — | — | WO | disclosed |