⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6054231 | 0.78 | ALDH1A1 (0.56) | — | |
| SCHEMBL6054302 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL278725 | 0.73 | — | — | |
| SCHEMBL2899117 | 0.73 | — | — | |
| SCHEMBL2898495 | 0.73 | — | — | |
| SCHEMBL5527565 | 0.73 | — | — | |
| SCHEMBL4963143 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL79613 | 0.73 | — | — | |
| SCHEMBL581582 | 0.73 | — | — | |
| SCHEMBL159468 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1669347-A1 | Process for the preparation of 3-¬(4-fluorophenyl) sulfonyl|-2-hydroxy-2-methyl propionic acid | Helm AG (DE) | 2006-06-14 | — | — | EP | claimed |
| WO-2013059898-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING SESQUITERPENE LACTONES BELONGING TO THE CLASS OF FURAN HELIANGOLIDES FOR THE TREATMENT OF PARASITIC INFECTIONS AND TUMOURS | UNIVERSIDADE FEDERAL DE OURO PRETO - UFOP (BR) | 2013-05-02 | — | — | WO | disclosed |
| EP-1669347-A1 | Process for the preparation of 3-¬(4-fluorophenyl) sulfonyl|-2-hydroxy-2-methyl propionic acid | Helm AG (DE) | 2006-06-14 | — | — | EP | disclosed |
| EP-1669347-A1 | Process for the preparation of 3-¬(4-fluorophenyl) sulfonyl|-2-hydroxy-2-methyl propionic acid | Helm AG (DE) | 2006-06-14 | — | — | EP | disclosed |