⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13433809 | 0.80 | — | — | |
| SCHEMBL17873710 | 0.77 | — | — | |
| SCHEMBL2151480 | 0.74 | — | — | |
| SCHEMBL17629865 | 0.74 | HTT (0.33) | — | |
| SCHEMBL754970 | 0.74 | HTT (0.33) | — | |
| SCHEMBL25019036 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL878922 | 0.69 | MEN1 (0.31) | — | |
| SCHEMBL19223561 | 0.69 | — | — | |
| SCHEMBL15694372 | 0.69 | KDM4E (0.35) | — | |
| SCHEMBL20784290 | 0.68 | — | — |
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-2430140-A2 | PERFUME SYSTEMS | The Procter & Gamble Company (US) | 2012-03-21 | — | — | EP | claimed |
| WO-2010132531-A2 | PERFUME SYSTEMS | THE PROCTER & GAMBLE COMPANY (US) | 2010-11-18 | — | — | WO | claimed |