⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6913774 | 1.00 | — | — | |
| SCHEMBL371925 | 1.00 | — | — | |
| SCHEMBL10354453 | 0.83 | — | — | |
| SCHEMBL27768874 | 0.81 | LMNA (0.55) | — | |
| SCHEMBL28783402 | 0.81 | LMNA (0.55) | — | |
| SCHEMBL27907123 | 0.81 | LMNA (0.55) | — | |
| SCHEMBL8894698 | 0.79 | LMNA (0.57) | — | |
| SCHEMBL28574666 | 0.79 | LMNA (0.57) | — | |
| SCHEMBL11765423 | 0.79 | FOLH1 (0.55) | — | |
| SCHEMBL911280 | 0.79 | — | — |
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-7833767-B2 | having enhanced ketoreductase activity and/or thermostability for use in the stereospecific reduction of ketones; non-naturally occurring ketoreductas polypeptide capable of converting ethyl 4-chloroacetoacetate to ethyl (S)-4-chloro-3-hydroxybutyrate in the presence of cofactor NADPH | CODEXIS, INC. (US) | 2010-11-16 | — | — | US | claimed |