⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9446255 | 0.75 | SCD (0.38) | — | |
| SCHEMBL225022 | 0.69 | MEN1 (0.33) | — | |
| SCHEMBL27917081 | 0.68 | VDR (0.30) | — | |
| SCHEMBL16976827 | 0.68 | — | — | |
| SCHEMBL2697398 | 0.64 | — | — | |
| SCHEMBL28723462 | 0.64 | — | — | |
| SCHEMBL9444660 | 0.63 | POLB (0.33) | — | |
| Formaldehyde SCHEMBL28262224 | 0.62 | ALDH1A1 (0.47) | — | |
| SCHEMBL111353 | 0.62 | ALDH1A1 (0.47) | — | |
| SCHEMBL3380327 | 0.61 | TRIM24 (0.35) | — |
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-3197510-A1 | DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS | The Procter & Gamble Company (US) | 2017-08-02 | — | — | EP | claimed |
| WO-2016049458-A1 | DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 2016-03-31 | — | — | WO | claimed |
| US-20190274938-A1 | PERFUME COMPOSITION CAPABLE OF MASKING ODOR OF FORMULATION CONTAINING AMINE | LG HOUSEHOLD & HEALTH CARE LTD. (KR) | 2019-09-12 | — | — | US | disclosed |
| CN-108697598-A | Novel sensory compounds | 国际香料和香精公司 | 2018-10-23 | — | — | CN | disclosed |