⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2633147 | 0.85 | CASP2 (0.70) | — | |
| SCHEMBL605189 | 0.83 | — | — | |
| SCHEMBL26465317 | 0.83 | DNM1 (0.68) | — | |
| SCHEMBL24176835 | 0.83 | DNM1 (0.68) | — | |
| SCHEMBL24047858 | 0.83 | CASP2 (0.74) | — | |
| SCHEMBL840681 | 0.82 | — | — | |
| SCHEMBL24415976 | 0.81 | CASP2 (0.60) | — | |
| SCHEMBL25599001 | 0.80 | CASP2 (0.53) | — | |
| SCHEMBL7537764 | 0.80 | CASP2 (0.86) | — | |
| SCHEMBL19503746 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017117275-A1 | SILICA NANOPARTICLE WITH PLATINUM ANTI-CANCER AGENT | CITY OF HOPE (US) | 2017-07-06 | — | — | WO | disclosed |