⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11137576 | 0.73 | — | — | |
| SCHEMBL9811635 | 0.73 | — | — | |
| SCHEMBL11529015 | 0.73 | — | — | |
| SCHEMBL2374190 | 0.73 | — | — | |
| SCHEMBL6272885 | 0.73 | — | — | |
| SCHEMBL6603736 | 0.73 | — | — | |
| SCHEMBL28466785 | 0.71 | LMNA (0.33) | — | |
| SCHEMBL28074154 | 0.71 | — | — | |
| SCHEMBL7099652 | 0.71 | — | — | |
| SCHEMBL28241650 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8993285-B2 | Organisms for the production of isopropanol, n-butanol, and isobutanol | GENOMATICA, INC. (US) | 2015-03-31 | — | — | US | disclosed |
| US-20100323418-A1 | ORGANISMS FOR THE PRODUCTION OF ISOPROPANOL, n-BUTANOL, AND ISOBUTANOL | GENOMATICA, INC. (US) | 2010-12-23 | — | — | US | disclosed |