⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19218077 | 0.76 | PDK2 (0.35) | — | |
| SCHEMBL18902245 | 0.74 | KMT2A (0.39) | — | |
| SCHEMBL20189429 | 0.73 | PER2 (0.39) | — | |
| SCHEMBL20188086 | 0.73 | PER2 (0.39) | — | |
| SCHEMBL20188090 | 0.73 | PER2 (0.39) | — | |
| SCHEMBL24164410 | 0.71 | MEN1 (0.50) | — | |
| SCHEMBL19276884 | 0.70 | MEN1 (0.34) | — | |
| SCHEMBL18460155 | 0.70 | PTGER4 (0.35) | — | |
| SCHEMBL24594833 | 0.70 | PTGER4 (0.35) | — | |
| SCHEMBL24363280 | 0.70 | — | — |
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-3388425-B1 | AMINOAZOLE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2020-08-05 | — | — | EP | disclosed |