⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4589208 | 0.91 | LMNA (0.36) | — | |
| SCHEMBL4589181 | 0.83 | LIMK1 (0.32) | — | |
| SCHEMBL4589954 | 0.79 | LMNA (0.32) | — | |
| SCHEMBL5555274 | 0.76 | LMNA (0.34) | — | |
| SCHEMBL10714137 | 0.76 | LIMK1 (0.41) | — | |
| SCHEMBL4590107 | 0.73 | LMNA (0.36) | — | |
| SCHEMBL4589188 | 0.73 | LMNA (0.38) | — | |
| SCHEMBL4588298 | 0.73 | — | — | |
| SCHEMBL9009268 | 0.70 | LMNA (0.36) | — | |
| SCHEMBL4589516 | 0.69 | — | — |
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-7385054-B2 | Trimeric, macrocyclically substituted halo-benzene derivatives | SCHERING AG (DE) | 2008-06-10 | — | — | US | disclosed |
| US-20060154989-A1 | Trimeric, macrocyclically substituted halo-benzene derivatives | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2006-07-13 | — | — | US | disclosed |