⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10315016 | 1.00 | — | — | |
| Acrylamide SCHEMBL10874924 | 0.87 | ALDH1A1 (0.44) | — | |
| SCHEMBL18291034 | 0.79 | — | — | |
| SCHEMBL6754082 | 0.76 | — | — | |
| SCHEMBL7964983 | 0.76 | — | — | |
| SCHEMBL4406594 | 0.76 | — | — | |
| SCHEMBL3129296 | 0.76 | — | — | |
| SCHEMBL11406619 | 0.76 | — | — | |
| SCHEMBL415931 | 0.76 | — | — | |
| SCHEMBL13530805 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140134687-A1 | MODIFIED MICROORGANISMS AND METHODS OF USING SAME FOR PRODUCING BUTADIENE AND SUCCINATE | BRASKEM S/A AP 09 (BR) | 2014-05-15 | — | — | US | disclosed |