⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1698133 | 0.91 | ALDH1A1 (0.30) | — | |
| SCHEMBL2439262 | 0.88 | SQLE (0.32) | — | |
| SCHEMBL14332310 | 0.82 | SQLE (0.35) | — | |
| SCHEMBL2437672 | 0.79 | — | — | |
| SCHEMBL1698013 | 0.79 | SQLE (0.34) | — | |
| SCHEMBL2499890 | 0.79 | — | — | |
| SCHEMBL1698192 | 0.76 | SQLE (0.35) | — | |
| SCHEMBL2441272 | 0.76 | PAOX (0.32) | — | |
| SCHEMBL2439509 | 0.75 | PTGS2 (0.30) | — | |
| SCHEMBL2440397 | 0.75 | — | — |
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-2585569-A1 | PERFUME SYSTEMS | The Procter and Gamble Company (US) | 2013-05-01 | — | — | EP | claimed |
| WO-2011163337-A1 | PERFUME SYSTEMS | THE PROCTER & GAMBLE COMPANY (US) | 2011-12-29 | — | — | WO | claimed |