⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8348909 | 0.88 | KDM4E (0.35) | — | |
| SCHEMBL8349224 | 0.78 | EED (0.30) | — | |
| SCHEMBL8344164 | 0.76 | — | — | |
| SCHEMBL8346430 | 0.76 | — | — | |
| SCHEMBL8344237 | 0.74 | ADORA3 (0.32) | — | |
| SCHEMBL8350366 | 0.72 | KDM4E (0.34) | — | |
| SCHEMBL8942184 | 0.69 | KDM4E (0.36) | — | |
| SCHEMBL8347806 | 0.68 | PGK1 (0.32) | — | |
| SCHEMBL8942533 | 0.67 | — | — | |
| SCHEMBL8349272 | 0.67 | — | — |
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-5958904-A | Phosphonomethyl-imidazo 1,2-A! pyrimidine-2-carboxylic acid compounds for treatment of neurotoxic injury | G.D. SEARLE & CO. (US) | 1999-09-28 | — | — | US | disclosed |