⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19014793 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL18071767 | 0.85 | MEN1 (0.38) | — | |
| SCHEMBL19015035 | 0.85 | KMT2A (0.34) | — | |
| SCHEMBL19015031 | 0.83 | MAPT (0.35) | — | |
| SCHEMBL19015130 | 0.83 | TDP1 (0.33) | — | |
| SCHEMBL19015151 | 0.80 | POLB (0.33) | — | |
| SCHEMBL19014797 | 0.79 | TDP1 (0.37) | — | |
| SCHEMBL18069196 | 0.78 | MEN1 (0.35) | — | |
| SCHEMBL18069154 | 0.77 | MEN1 (0.36) | — | |
| SCHEMBL19015039 | 0.76 | TDP1 (0.40) | — |
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-3182203-A1 | A COMBINATION OF NIT DERIVATIVES WITH SENSITIZERS | Heraeus Precious Metals North America Daychem LLC (US) | 2017-06-21 | — | — | EP | disclosed |