⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28793531 | 0.82 | — | — | |
| SCHEMBL2248729 | 0.77 | — | — | |
| SCHEMBL8927405 | 0.75 | — | — | |
| SCHEMBL29715185 | 0.73 | — | — | |
| SCHEMBL6427949 | 0.71 | — | — | |
| SCHEMBL1069823 | 0.71 | — | — | |
| SCHEMBL8508689 | 0.71 | — | — | |
| SCHEMBL580952 | 0.71 | — | — | |
| SCHEMBL3628672 | 0.71 | — | — | |
| SCHEMBL1431145 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7091351-B2 | Vanadium compounds for treating cancer | PARKER HUGHES INSTITUTE (US) | 2006-08-15 | — | — | US | claimed |
| US-6743786-B2 | ORGANOMETALLIC COMPOUND; ANTICANCER, ANTITUMOR AGENTS | PARKER HUGHES INSTITUTE | 2004-06-01 | — | — | US | claimed |
| US-6432941-B1 | ANTICANCER, ANTITUMOR AGENT | PARKER HUGHES INSTITUTE | 2002-08-13 | — | — | US | claimed |