⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL746700 | 0.82 | — | — | |
| SCHEMBL40340 | 0.82 | — | — | |
| SCHEMBL3778736 | 0.67 | — | — | |
| SCHEMBL18918211 | 0.67 | — | — | |
| SCHEMBL9722895 | 0.67 | KDM3A (0.33) | — | |
| Potassium Ion SCHEMBL11536557 | 0.67 | — | — | |
| Water SCHEMBL2980748 | 0.67 | — | — | |
| SCHEMBL2290394 | 0.67 | — | — | |
| SCHEMBL2144904 | 0.67 | — | — | |
| SCHEMBL9400565 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10300459-B2 | Metal oxide catalyst systems for conversion of ethanol to butadiene | FINA TECHNOLOGY, INC. (US) | 2019-05-28 | — | — | US | disclosed |
| US-20190105634-A1 | METAL OXIDE CATALYST SYSTEMS FOR CONVERSION OF ETHANOL TO BUTADIENE | FINA TECHNOLOGY (US) | 2019-04-11 | — | — | US | disclosed |
| US-10179323-B2 | Metal oxide catalyst systems for conversion of ethanol to butadiene | FINA TECHNOLOGY, INC. (US) | 2019-01-15 | — | — | US | disclosed |
| US-20170349503-A1 | METAL OXIDE CATALYST SYSTEMS FOR CONVERSION OF ETHANOL TO BUTADIENE | FINA TECHNOLOGY, INC. | 2017-12-07 | — | — | US | disclosed |