⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8837218 | 0.69 | CYP1A2 (0.31) | — | |
| SCHEMBL8837257 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL8482293 | 0.69 | — | — | |
| SCHEMBL10193198 | 0.68 | — | — | |
| SCHEMBL24328263 | 0.67 | — | — | |
| SCHEMBL24328855 | 0.67 | — | — | |
| SCHEMBL18204973 | 0.62 | — | — | |
| SCHEMBL28191658 | 0.62 | POLB (0.30) | — | |
| SCHEMBL8713466 | 0.61 | — | — | |
| SCHEMBL8878067 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022078416-A1 | NOVEL GLUTAMINE ANALOGS | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2022-04-21 | — | — | WO | disclosed |