⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8847080 | 0.65 | — | — | |
| SCHEMBL3734941 | 0.61 | — | — | |
| SCHEMBL20377095 | 0.59 | TP53 (0.32) | — | |
| SCHEMBL20377081 | 0.59 | TP53 (0.32) | — | |
| SCHEMBL28287027 | 0.56 | — | — | |
| SCHEMBL10945074 | 0.55 | — | — | |
| SCHEMBL27837489 | 0.54 | — | — | |
| SCHEMBL28084526 | 0.54 | ALDH1A1 (0.33) | — | |
| SCHEMBL29948174 | 0.52 | — | — | |
| SCHEMBL8086833 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010007408-A2 | INTERMEDIATES 2-(2-CHLORO-5-HYDROXY-4-METHYLCARBAMOYLPHENOXY)-2-METHYLPROPIONIC ACID TERT-BUTYL ESTER AND GLYCIDYL BENZENE SULFONATES OR SALTS THEREOF AND THE PROCESS FOR PREPARATION OF SAID INTERMEDIATES | ASTRAZENECA AB (SE) | 2010-01-21 | — | — | WO | disclosed |