⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3217381 | 0.78 | — | — | |
| SCHEMBL11237163 | 0.76 | — | — | |
| SCHEMBL5882783 | 0.74 | — | — | |
| SCHEMBL1479093 | 0.74 | — | — | |
| SCHEMBL29048218 | 0.74 | — | — | |
| SCHEMBL29048200 | 0.74 | — | — | |
| SCHEMBL9109726 | 0.74 | — | — | |
| Bromide SCHEMBL4349152 | 0.70 | — | — | |
| SCHEMBL24047732 | 0.70 | — | — | |
| SCHEMBL24047731 | 0.70 | — | — |
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-1521752-A1 | NOVEL MACROCYCLES FOR THE TREATMENT OF CANCER | Gesellschaft fur Biotechnologische Forschung mbH (gbf) (DE) | 2005-04-13 | — | — | EP | disclosed |
| WO-2004007492-A1 | NOVEL MACROCYCLES FOR THE TREATMENT OF CANCER | GESELLSCHAFT FUER BIOTECHNOLGISCHE FORSCHUNG MBH (GBF) (DE) | 2004-01-22 | — | — | WO | disclosed |