⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8086008 | 0.75 | TLR8 (0.34) | — | |
| SCHEMBL8613615 | 0.74 | L3MBTL1 (0.32) | — | |
| SCHEMBL8086933 | 0.72 | SIRT2 (0.35) | — | |
| SCHEMBL27513154 | 0.70 | HRH4 (0.32) | — | |
| SCHEMBL5973965 | 0.69 | HRH4 (0.33) | — | |
| SCHEMBL27529469 | 0.67 | CRHR1 (0.31) | — | |
| SCHEMBL6254711 | 0.66 | MEN1 (0.41) | — | |
| SCHEMBL27487604 | 0.64 | SIRT2 (0.33) | — | |
| SCHEMBL779433 | 0.63 | TRPM8 (0.45) | — | |
| SCHEMBL4623191 | 0.62 | PLA2G2C (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0837864-A1 | NOVEL QUINOXALINE- AND QUINOXALINYLALKANE-PHOSPHONIC ACIDS | Novartis AG (CH) | 1998-04-29 | — | — | EP | disclosed |
| WO-1997003079-A1 | NOVEL QUINOXALINE- AND QUINOXALINYLALKANE-PHOSPHONIC ACIDS | NOVARTIS AG (CH) | 1997-01-30 | — | — | WO | disclosed |