⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13229905 | 1.00 | — | — | |
| SCHEMBL14294824 | 0.92 | — | — | |
| SCHEMBL457832 | 0.92 | — | — | |
| SCHEMBL1401052 | 0.92 | — | — | |
| SCHEMBL1592252 | 0.92 | — | — | |
| SCHEMBL14417298 | 0.92 | — | — | |
| SCHEMBL202013 | 0.92 | — | — | |
| SCHEMBL202012 | 0.92 | — | — | |
| SCHEMBL202015 | 0.92 | — | — | |
| SCHEMBL202014 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8088610-B2 | Ketoreductases for the production of (S,E)-methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hroxypropyl)benzoate | CODEXIS, INC. (US) | 2012-01-03 | — | — | US | disclosed |
| US-20090155863-A1 | KETOREDUCTASE POLYPEPTIDES AND USES THEREOF | CODEXIS, INC. (US) | 2009-06-18 | — | — | US | disclosed |