⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4948829 | 0.73 | — | — | |
| SCHEMBL15319876 | 0.71 | — | — | |
| SCHEMBL20111621 | 0.69 | — | — | |
| SCHEMBL9749302 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1509160 | 0.67 | — | — | |
| SCHEMBL7658475 | 0.65 | — | — | |
| SCHEMBL11527806 | 0.65 | KDM4E (0.48) | — | |
| SCHEMBL16051806 | 0.65 | — | — | |
| SCHEMBL7658483 | 0.65 | — | — | |
| SCHEMBL1162244 | 0.63 | KDM4E (0.38) | — |
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-20020119095-A1 | Chemotherapeutic agents conjugated to p97 and their methods of use in treating neurological tumours | GABATHULER REINHARD (CA) | 2002-08-29 | — | — | US | disclosed |
| WO-2002013843-A2 | CHEMOTHERAPEUTIC AGENTS CONJUGATED TO P97 AND THEIR METHODS OF USE IN TREATING NEUROLOGICAL TUMOURS | UNIVERSITY OF BRITISH COLUMBIA (CA) | 2002-02-21 | — | — | WO | disclosed |