⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11044982 | 0.65 | CA1 (0.31) | — | |
| Methane SCHEMBL27972515 | 0.64 | — | — | |
| SCHEMBL11034650 | 0.64 | — | — | |
| SCHEMBL6342267 | 0.62 | — | — | |
| SCHEMBL219138 | 0.62 | — | — | |
| Methane SCHEMBL27699285 | 0.61 | — | — | |
| SCHEMBL6248314 | 0.61 | — | — | |
| SCHEMBL4647470 | 0.60 | — | — | |
| SCHEMBL27827693 | 0.59 | — | — | |
| SCHEMBL16454 | 0.59 | — | — |
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-7687510-B2 | Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes | BAYER HEALTHCARE AG (DE) | 2010-03-30 | — | — | US | disclosed |
| US-20060160801-A1 | Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2006-07-20 | — | — | US | disclosed |