⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14945848 | 0.84 | POLB (0.30) | — | |
| SCHEMBL1783031 | 0.65 | ADORA2A (0.39) | — | |
| SCHEMBL18015880 | 0.65 | POLB (0.32) | — | |
| SCHEMBL1781515 | 0.65 | TP53 (0.48) | — | |
| SCHEMBL1781192 | 0.64 | MGLL (0.42) | — | |
| SCHEMBL14945846 | 0.63 | GRIA1 (0.35) | — | |
| SCHEMBL1780448 | 0.63 | HCAR1 (0.38) | — | |
| SCHEMBL18965253 | 0.63 | — | — | |
| SCHEMBL16241270 | 0.62 | MGLL (0.37) | — | |
| SCHEMBL1780584 | 0.62 | CTSK (0.41) | — |
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-20130123262-A1 | NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS | ADDEX PHARMA S.A. (CH) | 2013-05-16 | — | — | US | disclosed |