⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL670032 | 0.82 | HNF4A (0.35) | — | |
| SCHEMBL30526169 | 0.78 | — | — | |
| SCHEMBL15903816 | 0.69 | MEN1 (0.32) | — | |
| SCHEMBL30526186 | 0.66 | CYP1A2 (0.34) | — | |
| SCHEMBL4376673 | 0.66 | HNF4A (0.37) | — | |
| SCHEMBL12501673 | 0.66 | HNF4A (0.37) | — | |
| SCHEMBL16226030 | 0.64 | TRPM4 (0.41) | — | |
| SCHEMBL29602086 | 0.63 | PDE2A (0.34) | — | |
| SCHEMBL16107419 | 0.61 | TRPM4 (0.68) | — | |
| SCHEMBL1533447 | 0.60 | CYP1A2 (0.57) | — |
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-20140335050-A1 | METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER | THE GENERAL HOSPITAL CORPORATION (US) | 2014-11-13 | — | — | US | disclosed |