⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL77562 | 0.97 | — | — | |
| SCHEMBL3280030 | 0.90 | — | — | |
| SCHEMBL1200 | 0.80 | — | — | |
| SCHEMBL5427065 | 0.80 | — | — | |
| SCHEMBL28106297 | 0.78 | — | — | |
| Hydrogen Sulfide SCHEMBL28225331 | 0.78 | — | — | |
| SCHEMBL566873 | 0.76 | — | — | |
| SCHEMBL971616 | 0.74 | — | — | |
| SCHEMBL18458464 | 0.72 | — | — | |
| SCHEMBL4896738 | 0.72 | MEN1 (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101010312-B | Quaternary salt chemoattractant cytokine receptor 2 antagonists | JANSSEN PHARMACEUTICA NV | 2011-04-20 | — | — | CN | disclosed |
| CN-101065374-A | Substituted dipiperidine chemoattractant cytokine receptor 2 antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2007-10-31 | — | — | CN | disclosed |
| CN-101010312-A | Quaternary salt chemoattractant cytokine receptor 2 antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2007-08-01 | — | — | CN | disclosed |