⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9219179 | 0.79 | CA2 (0.39) | — | |
| SCHEMBL6256470 | 0.78 | — | — | |
| SCHEMBL1600875 | 0.77 | — | — | |
| SCHEMBL11013961 | 0.77 | — | — | |
| SCHEMBL16325223 | 0.77 | — | — | |
| SCHEMBL11027982 | 0.76 | ZDHHC7 (0.41) | — | |
| SCHEMBL5403877 | 0.76 | ZDHHC7 (0.37) | — | |
| SCHEMBL6859111 | 0.76 | ZDHHC7 (0.41) | — | |
| SCHEMBL27620257 | 0.74 | CA2 (0.30) | — | |
| SCHEMBL4450655 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1603930-B1 | PROTEIN-BOUND DERIVATIVES OF PLATINUM COMPLEXES CONTAINING CYCLOBUTANE 1.1-DICARBOXYLLATE LIGANDS | KTB TUMORFORSCHUNGS GMBH (DE) | 2007-08-29 | — | — | EP | claimed |