⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30117374 | 0.83 | TAS1R3 (0.39) | — | |
| SCHEMBL8089117 | 0.80 | — | — | |
| SCHEMBL5411837 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL239571 | 0.79 | — | — | |
| SCHEMBL20877837 | 0.79 | — | — | |
| SCHEMBL28321979 | 0.79 | — | — | |
| SCHEMBL5411842 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL270119 | 0.78 | HDAC6 (0.39) | — | |
| SCHEMBL12127403 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL18262308 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2358663-A1 | ENANTIOSELECTIVE SYNTHESIS OF -AMINO- , -UNSATURATED CARBOXYLIC ACID DERIVATIVES | Novartis AG (CH) | 2011-08-24 | — | — | EP | disclosed |
| WO-2010055162-A1 | ENANTIOSELECTIVE SYNTHESIS OF γ-AMINO-α,β-UNSATURATED CARBOXYLIC ACID DERIVATIVES | NOVARTIS AG (CH) | 2010-05-20 | — | — | WO | disclosed |