⚠ 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 SCHEMBL7277489 | 0.93 | — | — | |
| 2-Oxoisovalerate SCHEMBL31691736 | 0.93 | — | — | |
| 2-Oxoisovalerate SCHEMBL468254 | 0.93 | — | — | |
| 2-Oxoisovalerate SCHEMBL3782996 | 0.93 | — | — | |
| 2-Oxoisovalerate SCHEMBL32667358 | 0.93 | TP53 (0.39) | — | |
| 2-Oxoisovalerate SCHEMBL7647463 | 0.93 | — | — | |
| 2-Oxoisovalerate SCHEMBL28232351 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103946370-B | Coryneform bacterium transformant and method for producing valine using same | 公益财团法人地球环境产业技术研究机构 | 2016-08-17 | — | — | CN | disclosed |
| WO-2015168669-A1 | HUMAN HEALTH PROPERTY MONITORING SYSTEM | HALL DAVID R (US) | 2015-11-05 | — | — | WO | disclosed |
| US-6696266-B1 | DIAGNOSING AND MONITORING LIVER INJURY OR FAILURE; SENSITIVE, ACCURATE, INEXPENSIVE MEASUREMENT IN BLOOD | ASAHI KASEI PHARMA CORPORATION (JP) | 2004-02-24 | — | — | US | disclosed |