⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8329628 | 0.79 | CA2 (0.33) | — | |
| SCHEMBL15421871 | 0.75 | — | — | |
| SCHEMBL4610884 | 0.75 | — | — | |
| SCHEMBL4610879 | 0.75 | — | — | |
| SCHEMBL8328093 | 0.73 | CA1 (0.30) | — | |
| SCHEMBL28191781 | 0.73 | CA1 (0.39) | — | |
| SCHEMBL1892146 | 0.73 | CA2 (0.37) | — | |
| SCHEMBL4314030 | 0.71 | PTGS1 (0.41) | — | |
| Sulfur Dioxide SCHEMBL28516926 | 0.71 | — | — | |
| SCHEMBL2289857 | 0.71 | PTGS1 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070299057-A9 | HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | KO SOO S | 2007-12-27 | — | — | US | disclosed |
| US-20070299057-A9 | HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | KO SOO S | 2007-12-27 | — | — | US | disclosed |
| US-7312222-B2 | Heterocyclic piperidines as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2007-12-25 | — | — | US | disclosed |
| US-7312222-B2 | Heterocyclic piperidines as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2007-12-25 | — | — | US | disclosed |