⚠ 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 | |
|---|---|---|---|---|
| 2-Oxoisovalerate SCHEMBL30552298 | 0.96 | — | — | |
| 2-Oxoisovalerate SCHEMBL1462512 | 0.96 | TP53 (0.41) | — | |
| 2-Oxoisovalerate SCHEMBL42329 | 0.96 | — | — | |
| 2-Oxoisovalerate SCHEMBL468254 | 0.93 | — | — | |
| 2-Oxoisovalerate SCHEMBL7277489 | 0.93 | — | — | |
| 2-Oxoisovalerate SCHEMBL3782996 | 0.93 | — | — | |
| 2-Oxoisovalerate SCHEMBL31691736 | 0.93 | — | — | |
| 2-Oxoisovalerate SCHEMBL32667358 | 0.93 | TP53 (0.39) | — | |
| 2-Oxoisovalerate SCHEMBL6846904 | 0.93 | — | — | |
| 2-Oxoisovalerate SCHEMBL7647463 | 0.93 | — | — |
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-104685059-A | Biosynthetic pathways, recombinant cells, and methods | UNIV MINNESOTA | 2015-06-03 | — | — | CN | disclosed |