⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14940650 | 0.64 | — | — | |
| SCHEMBL17338564 | 0.59 | — | — | |
| SCHEMBL9850824 | 0.57 | — | — | |
| SCHEMBL31481251 | 0.56 | MEN1 (0.36) | — | |
| SCHEMBL3815799 | 0.55 | — | — | |
| SCHEMBL31084281 | 0.51 | — | — | |
| SCHEMBL3262997 | 0.47 | — | — | |
| SCHEMBL5663095 | 0.47 | — | — | |
| SCHEMBL28311023 | 0.46 | — | — | |
| SCHEMBL4073685 | 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 2 patents. 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 |
| WO-2005016926-A1 | PYRIDO [3,4-D] PYRIMIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE-13 INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2005-02-24 | — | — | WO | disclosed |