⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL759448 | 0.77 | PTPN1 (0.41) | — | |
| SCHEMBL9289567 | 0.77 | PTPN1 (0.41) | — | |
| SCHEMBL20154502 | 0.77 | PTPN1 (0.41) | — | |
| SCHEMBL16984862 | 0.69 | PTPN1 (0.40) | — | |
| SCHEMBL16984793 | 0.69 | PTPN1 (0.40) | — | |
| SCHEMBL16984747 | 0.69 | PTPN1 (0.40) | — | |
| SCHEMBL19849758 | 0.68 | PTPN1 (0.39) | — | |
| SCHEMBL5700633 | 0.58 | ALDH1A1 (0.36) | — | |
| SCHEMBL22580577 | 0.57 | — | — | |
| SCHEMBL23789999 | 0.56 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3056247-A2 | MALODOR NEUTRALIZING COMPOSITIONS CONTAINING ACIDS AND ALICYCLIC KETONES | Robertet, Inc. (US) | 2016-08-17 | — | — | EP | disclosed |
| EP-1442106-A1 | MIXTURES FOR USE AS MUSK FRAGRANCE | Symrise GmbH & Co. KG (DE) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003038019-A1 | MIXTURES FOR USE AS MUSK FRAGRANCE | SYMRISE GMBH & CO. KG (DE) | 2003-05-08 | — | — | WO | disclosed |