⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5380304 | 0.90 | ALDH1A1 (0.33) | — | |
| SCHEMBL5396592 | 0.79 | PARP1 (0.30) | — | |
| SCHEMBL6907405 | 0.78 | KMT2A (0.38) | — | |
| SCHEMBL5381803 | 0.64 | RORC (0.38) | — | |
| SCHEMBL5376972 | 0.62 | ALDH1A1 (0.45) | — | |
| SCHEMBL18179632 | 0.61 | ALDH1A1 (0.34) | — | |
| SCHEMBL7312272 | 0.57 | — | — | |
| SCHEMBL2786605 | 0.57 | RAPGEF4 (0.39) | — | |
| SCHEMBL18176975 | 0.56 | DPP4 (0.34) | — | |
| SCHEMBL5384803 | 0.56 | KMT2A (0.44) | — |
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-1258480-A1 | Pharmaceutical use of N-Carbamoylazole derivatives | Eisai Co., Ltd. (JP) | 2002-11-20 | — | — | EP | disclosed |