⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8871745 | 0.80 | — | — | |
| SCHEMBL9413772 | 0.79 | CDK9 (0.33) | — | |
| SCHEMBL9409277 | 0.69 | DYRK1A (0.32) | — | |
| SCHEMBL8870165 | 0.67 | DYRK1A (0.31) | — | |
| SCHEMBL9413841 | 0.65 | NOS2 (0.31) | — | |
| SCHEMBL8871239 | 0.64 | NOS3 (0.33) | — | |
| SCHEMBL9300556 | 0.62 | MAPT (0.39) | — | |
| SCHEMBL9413829 | 0.61 | CYP3A4 (0.34) | — | |
| SCHEMBL9226801 | 0.61 | LPO (0.33) | — | |
| SCHEMBL9413790 | 0.60 | TYMP (0.34) | — |
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-0582261-A1 | Cephalosporin compounds and processes for the preparation thereof | LUCKY LTD. (KR) | 1994-02-09 | — | — | EP | disclosed |