⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16421172 | 0.77 | — | — | |
| SCHEMBL16644637 | 0.77 | — | — | |
| SCHEMBL259696 | 0.75 | — | — | |
| SCHEMBL30828998 | 0.75 | — | — | |
| SCHEMBL7215051 | 0.75 | — | — | |
| SCHEMBL24025321 | 0.75 | — | — | |
| SCHEMBL10399986 | 0.75 | — | — | |
| SCHEMBL18033359 | 0.73 | — | — | |
| SCHEMBL12958842 | 0.71 | — | — | |
| SCHEMBL31274234 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160235743-A1 | NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY | Lu qing-bin (CA) | 2016-08-18 | — | — | US | disclosed |