⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2439256 | 0.98 | GLA (0.31) | — | |
| SCHEMBL2499890 | 0.96 | — | — | |
| SCHEMBL27851010 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL27832720 | 0.88 | TSHR (0.31) | — | |
| SCHEMBL2440440 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL2444461 | 0.82 | PTGS2 (0.30) | — | |
| SCHEMBL27832659 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL14332281 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL2440264 | 0.81 | TP53 (0.31) | — | |
| SCHEMBL27851024 | 0.80 | TSHR (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102300550-A | Perfume systems | — | 2011-12-28 | — | — | CN | claimed |
| EP-2362765-A2 | PERFUME SYSTEMS | The Procter & Gamble Company (US) | 2011-09-07 | — | — | EP | claimed |
| WO-2010065446-A2 | PERFUME SYSTEMS | THE PROCTER & GAMBLE COMPANY (US) | 2010-06-10 | — | — | WO | claimed |