⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8303742 | 0.73 | — | — | |
| SCHEMBL192063 | 0.65 | — | — | |
| SCHEMBL1711552 | 0.62 | — | — | |
| SCHEMBL9383231 | 0.61 | — | — | |
| SCHEMBL832594 | 0.58 | — | — | |
| SCHEMBL10593849 | 0.52 | — | — | |
| SCHEMBL2245111 | 0.51 | — | — | |
| SCHEMBL375711 | 0.51 | — | — | |
| SCHEMBL23881943 | 0.46 | ALDH1A1 (0.35) | — | |
| SCHEMBL1711815 | 0.46 | — | — |
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-20050085447-A1 | Pyrido[3,4-d]pyrimidine derivatives as matrix metalloproteinase-13 inhibitors | WARNER-LAMBERT COMPANY LLC | 2005-04-21 | — | — | US | disclosed |