⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29238116 | 0.65 | KDM4E (0.39) | — | |
| SCHEMBL3557121 | 0.62 | THRB (0.39) | — | |
| SCHEMBL2851215 | 0.61 | KDM4E (0.33) | — | |
| SCHEMBL3632915 | 0.61 | KDM4E (0.50) | — | |
| SCHEMBL2849381 | 0.60 | CASP1 (0.39) | — | |
| SCHEMBL8220478 | 0.59 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL27882830 | 0.59 | KDM4E (0.48) | — | |
| SCHEMBL29990282 | 0.58 | KEAP1 (0.50) | — | |
| SCHEMBL1106060 | 0.58 | KDM4E (0.47) | — | |
| SCHEMBL2595331 | 0.58 | KEAP1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1924558-B1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL SCIENT IND RES (IN) | 2010-01-13 | — | — | EP | claimed |
| EP-1924558-B1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL SCIENT IND RES (IN) | 2010-01-13 | — | — | EP | disclosed |
| US-20070117822-A1 | Novel antimalarial baylis-hillman adducts and a process for the preparation thereof | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2007-05-24 | — | — | US | disclosed |