⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12378053 | 0.67 | — | — | |
| SCHEMBL18544678 | 0.67 | — | — | |
| SCHEMBL1261054 | 0.59 | — | — | |
| SCHEMBL8038278 | 0.56 | — | — | |
| SCHEMBL15353993 | 0.56 | — | — | |
| SCHEMBL18712967 | 0.56 | — | — | |
| SCHEMBL9698690 | 0.56 | — | — | |
| SCHEMBL9534755 | 0.56 | — | — | |
| SCHEMBL36642 | 0.54 | — | — | |
| SCHEMBL130293 | 0.54 | — | — |
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-2264043-B1 | Heterobifunctional pan-selectin inhibitors | GLYCOMIMETICS INC (US) | 2017-11-08 | — | — | EP | disclosed |
| WO-2008115381-A1 | PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS | SCHERING CORPORATION (US) | 2008-09-25 | — | — | WO | disclosed |