⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL131697 | 0.72 | — | — | |
| SCHEMBL77707 | 0.64 | — | — | |
| SCHEMBL11244260 | 0.62 | — | — | |
| SCHEMBL23741 | 0.62 | — | — | |
| SCHEMBL4908313 | 0.62 | — | — | |
| Phosphine SCHEMBL28963125 | 0.59 | — | — | |
| SCHEMBL4949573 | 0.59 | — | — | |
| SCHEMBL10983922 | 0.59 | — | — | |
| SCHEMBL835953 | 0.59 | — | — | |
| Ammonia Solution, Strong SCHEMBL3288206 | 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 |
|---|---|---|---|---|---|---|---|
| EP-1606255-B1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2009-11-11 | — | — | EP | disclosed |
| EP-2098508-A1 | Cyclic derivatives as modulators of chemokine receptor activity | Bristol-Myers Squibb Company (US) | 2009-09-09 | — | — | EP | disclosed |