⚠ 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 | |
|---|---|---|---|---|
| Butanal SCHEMBL807 | 0.96 | — | — | |
| Butanal SCHEMBL7323870 | 0.96 | — | — | |
| Butanal SCHEMBL9303364 | 0.96 | ALDH1A1 (1.00) | — | |
| Butanal SCHEMBL597713 | 0.96 | ALDH1A1 (1.00) | — | |
| Butanal SCHEMBL23854344 | 0.92 | — | — | |
| Butanal SCHEMBL284804 | 0.92 | — | — | |
| Butanal SCHEMBL14973385 | 0.92 | — | — | |
| Butanal SCHEMBL2049306 | 0.92 | — | — | |
| Butanal SCHEMBL5604964 | 0.92 | — | — | |
| Butanal SCHEMBL490038 | 0.92 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108511712-A | Lithium-ion electric subconductivity agent material, preparation method, lithium battery pole slice and lithium battery | 溧阳天目先导电池材料科技有限公司 | 2018-09-07 | — | — | CN | claimed |
| CN-120079381-A | Liquid-phase hydrogenation catalyst for n-butyraldehyde and preparation method and application thereof | 中国科学院兰州化学物理研究所 | 2025-06-03 | — | — | CN | disclosed |
| CN-118045602-A | Catalyst for preparing octenal by condensing butyraldehyde, and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2024-05-17 | — | — | CN | disclosed |
| CN-117942974-A | Catalyst for preparing octenal, and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2024-04-30 | — | — | CN | disclosed |
| US-10961180-B2 | Branched trialkyl amine oxides | EASTMAN CHEMICAL COMPANY (US) | 2021-03-30 | — | — | US | disclosed |
| EP-3737662-A1 | BRANCHED TRIALKYLAMINE PRECURSORS, INTERMEDIATES, PRODUCTS MADE THEREFROM AND PROCESSES OF MANUFACTURE | Eastman Chemical Company (US) | 2020-11-18 | — | — | EP | disclosed |
| US-10640452-B2 | Branched trialkyl quaternary ammonium compounds | EASTMAN CHEMICAL COMPANY (US) | 2020-05-05 | — | — | US | disclosed |
| US-20190218170-A1 | BRANCHED TRIALKYLAMINE PRECURSORS, INTERMEDIATES, PRODUCTS MADE THEREFROM AND PROCESSES OF MANUFACTURE | EASTMAN CHEMICAL COMPANY (US) | 2019-07-18 | — | — | US | disclosed |
| US-20190218169-A1 | BRANCHED TRIALKYL AMINE OXIDES | EASTMAN CHEMICAL COMPANY (US) | 2019-07-18 | — | — | US | disclosed |
| US-20190218171-A1 | BRANCHED TRIALKYL QUATERNARY AMMONIUM COMPOUNDS | EASTMAN CHEMICAL COMPANY (US) | 2019-07-18 | — | — | US | disclosed |
| CN-108511712-A | Lithium-ion electric subconductivity agent material, preparation method, lithium battery pole slice and lithium battery | 溧阳天目先导电池材料科技有限公司 | 2018-09-07 | — | — | CN | disclosed |