⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27779211 | 0.62 | ALDH1A1 (0.38) | — | |
| SCHEMBL20415576 | 0.62 | RORC (0.33) | — | |
| SCHEMBL14558319 | 0.62 | CCR1 (0.37) | — | |
| SCHEMBL20601731 | 0.61 | EGFR (0.32) | — | |
| SCHEMBL2849359 | 0.60 | ALDH1A1 (0.45) | — | |
| SCHEMBL27779260 | 0.59 | EGFR (0.31) | — | |
| SCHEMBL27805732 | 0.59 | MAPT (0.33) | — | |
| SCHEMBL17767273 | 0.58 | MMP8 (0.36) | — | |
| SCHEMBL20601751 | 0.58 | POLB (0.33) | — | |
| SCHEMBL2851683 | 0.57 | EGFR (0.30) | — |
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 | disclosed |
| EP-1924558-A1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2008-05-28 | — | — | EP | disclosed |
| WO-2007032016-A1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2007-03-22 | — | — | WO | disclosed |