⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11829242 | 0.69 | — | — | |
| SCHEMBL2146054 | 0.65 | — | — | |
| SCHEMBL496676 | 0.62 | — | — | |
| SCHEMBL27333545 | 0.62 | — | — | |
| SCHEMBL2180157 | 0.61 | — | — | |
| SCHEMBL1445023 | 0.60 | — | — | |
| SCHEMBL2068896 | 0.58 | — | — | |
| SCHEMBL10969170 | 0.57 | — | — | |
| SCHEMBL28328644 | 0.54 | MPO (0.39) | — | |
| SCHEMBL5863724 | 0.53 | — | — |
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-2010014798-A2 | PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2010-02-04 | — | — | WO | disclosed |