⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25521631 | 1.00 | — | — | |
| 2-Oxoisovalerate SCHEMBL31146546 | 0.79 | GABRR1 (0.39) | — | |
| SCHEMBL8105244 | 0.78 | GABRP (0.37) | — | |
| SCHEMBL188105 | 0.77 | — | — | |
| SCHEMBL8768172 | 0.77 | FFAR3 (0.35) | — | |
| SCHEMBL29396747 | 0.77 | FFAR3 (0.35) | — | |
| SCHEMBL3860250 | 0.77 | — | — | |
| SCHEMBL43232 | 0.77 | — | — | |
| SCHEMBL188004 | 0.75 | — | — | |
| SCHEMBL11031932 | 0.75 | GABRR1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105189772-A | Use of phosphoketolase and phosphotransacetylase for production of acetyl-coenzyme a derived compounds | AMYRIS INC | 2015-12-23 | — | — | CN | disclosed |