⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30309468 | 0.73 | — | — | |
| SCHEMBL28643104 | 0.73 | — | — | |
| SCHEMBL22169210 | 0.71 | — | — | |
| SCHEMBL23802524 | 0.71 | MEN1 (0.37) | — | |
| SCHEMBL12583504 | 0.69 | — | — | |
| SCHEMBL4780196 | 0.69 | NAMPT (0.33) | — | |
| SCHEMBL28584990 | 0.69 | NAMPT (0.33) | — | |
| SCHEMBL12583134 | 0.69 | — | — | |
| SCHEMBL6913249 | 0.69 | — | — | |
| SCHEMBL1543537 | 0.69 | — | — |
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-20190071416-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2019-03-07 | — | — | US | disclosed |