⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21844231 | 0.69 | — | — | |
| SCHEMBL14415798 | 0.69 | — | — | |
| SCHEMBL538029 | 0.67 | — | — | |
| SCHEMBL23046 | 0.63 | — | — | |
| SCHEMBL8568132 | 0.63 | — | — | |
| SCHEMBL23510494 | 0.63 | — | — | |
| SCHEMBL27745580 | 0.63 | — | — | |
| SCHEMBL23538322 | 0.61 | — | — | |
| SCHEMBL18516589 | 0.61 | — | — | |
| SCHEMBL23191049 | 0.59 | — | — |
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-8299293-B2 | Process for preparing α-keto acids and derivatives thereof | EVONIK DEGUSSA GMBH (DE) | 2012-10-30 | — | — | US | disclosed |
| US-20090076302-A1 | PROCESS FOR PREPARING a-KETO ACIDS AND DERIVATIVES THEREOF | EVONIK DEGUSSA GMBH (DE) | 2009-03-19 | — | — | US | disclosed |