⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31406992 | 0.71 | — | — | |
| SCHEMBL6014090 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL11814389 | 0.70 | NOS3 (0.33) | — | |
| SCHEMBL17538637 | 0.68 | — | — | |
| SCHEMBL9823006 | 0.66 | — | — | |
| SCHEMBL17634361 | 0.66 | — | — | |
| SCHEMBL6593076 | 0.66 | ALDH1A1 (0.35) | — | |
| SCHEMBL13576631 | 0.66 | ALDH1A1 (0.35) | — | |
| SCHEMBL2222148 | 0.64 | — | — | |
| SCHEMBL4619843 | 0.64 | ALDH1A1 (0.34) | — |
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-3197424-A1 | FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME | THE PROCTER & GAMBLE COMPANY (US) | 2017-08-02 | — | — | EP | claimed |
| WO-2016049398-A1 | FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME | THE PROCTER & GAMBLE COMPANY (US) | 2016-03-31 | — | — | WO | claimed |