⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3420655 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL3420184 | 0.75 | — | — | |
| SCHEMBL3419471 | 0.72 | — | — | |
| SCHEMBL25191603 | 0.72 | — | — | |
| SCHEMBL23532231 | 0.72 | — | — | |
| SCHEMBL3421223 | 0.71 | — | — | |
| SCHEMBL29177479 | 0.71 | — | — | |
| SCHEMBL3421335 | 0.71 | TRPA1 (0.31) | — | |
| SCHEMBL9579824 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL3422607 | 0.66 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2167463-B1 | CYSTEINE DERIVATIVES WHICH COUNTERACT MALODOUR | GIVAUDAN SA (CH) | 2013-06-12 | — | — | EP | disclosed |
| US-7846887-B2 | Cysteine derivatives which counteract malodour | GIVAUDAN SA (CH) | 2010-12-07 | — | — | US | disclosed |
| US-20100179088-A1 | Cysteine Derivatives Which Counteract Malodour | GIVAUDAN SA (CH) | 2010-07-15 | — | — | US | disclosed |
| EP-2022780-A2 | Cysteine derivatives which counteract malodour | Givaudan SA (CH) | 2009-02-11 | — | — | EP | disclosed |