⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4898644 | 0.92 | PTPN1 (0.31) | — | |
| SCHEMBL14266830 | 0.84 | HTR7 (0.31) | — | |
| SCHEMBL4891818 | 0.82 | F2RL3 (0.33) | — | |
| SCHEMBL4898670 | 0.82 | F2RL3 (0.33) | — | |
| SCHEMBL14257193 | 0.81 | GCGR (0.34) | — | |
| SCHEMBL4891987 | 0.79 | PTPN1 (0.40) | — | |
| SCHEMBL4898662 | 0.78 | NOTUM (0.33) | — | |
| SCHEMBL4956394 | 0.77 | PTPN1 (0.31) | — | |
| SCHEMBL4956718 | 0.77 | PTPN1 (0.31) | — | |
| SCHEMBL4901693 | 0.76 | PTPN1 (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 |
|---|---|---|---|---|---|---|---|
| US-20080070867-A1 | 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases | METABASIS THERAPEUTICS, INC. (US) | 2008-03-20 | — | — | US | disclosed |