⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19140457 | 0.72 | — | — | |
| SCHEMBL1396576 | 0.67 | — | — | |
| SCHEMBL5393533 | 0.67 | — | — | |
| SCHEMBL22003018 | 0.67 | — | — | |
| Lithium Ion SCHEMBL25290245 | 0.62 | — | — | |
| SCHEMBL8715281 | 0.62 | — | — | |
| SCHEMBL8715278 | 0.62 | — | — | |
| SCHEMBL8717901 | 0.62 | — | — | |
| SCHEMBL1253309 | 0.62 | — | — | |
| SCHEMBL8717897 | 0.62 | — | — |
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-3543349-A1 | MOLECULAR KINETICS EVALUATION METHOD AND SCREENING METHOD | Tokyo University of Science Foundation (JP) | 2019-09-25 | — | — | EP | disclosed |