⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL308136 | 0.71 | MPO (0.36) | — | |
| SCHEMBL11755943 | 0.69 | — | — | |
| SCHEMBL16178998 | 0.60 | — | — | |
| SCHEMBL11133036 | 0.60 | — | — | |
| SCHEMBL5433994 | 0.59 | — | — | |
| Water SCHEMBL8592866 | 0.59 | — | — | |
| SCHEMBL9656529 | 0.59 | — | — | |
| SCHEMBL6906047 | 0.58 | — | — | |
| SCHEMBL3991509 | 0.58 | — | — | |
| SCHEMBL7617970 | 0.57 | MPO (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 |
|---|---|---|---|---|---|---|---|
| WO-2009041905-A1 | PTERIDINE COMPOUNDS HAVING ACTIVITY ON THE GABA- RECEPTORS | ASTRAZENECA AB (SE) | 2009-04-02 | — | — | WO | disclosed |