⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30978833 | 0.63 | DYRK1A (0.41) | — | |
| SCHEMBL27827061 | 0.57 | — | — | |
| SCHEMBL15824806 | 0.57 | — | — | |
| SCHEMBL7516716 | 0.54 | DYRK1A (0.41) | — | |
| SCHEMBL28399878 | 0.53 | HCAR2 (0.39) | — | |
| SCHEMBL30481089 | 0.52 | ALDH1A1 (0.33) | — | |
| SCHEMBL19366058 | 0.51 | — | — | |
| SCHEMBL29886166 | 0.50 | — | — | |
| SCHEMBL31189737 | 0.49 | CCR1 (0.43) | — | |
| SCHEMBL4859506 | 0.47 | ALDH1A1 (0.46) | — |
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-1981894-A2 | TRIPODAL LIGANDS WITH THE COORDINATING MOTIFS K2-BH2 OR K3-BH3 RELEVANT FOR BIOMEDICAL APPLICATIONS OF ORGANOMETALLIC COMPLEXES | MALLINCKRODT, INC. (US) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007073472-A2 | TRIPODAL LIGANDS WITH THE COORDINATING MOTIFS K2-BH2 OR K3-BH3 RELEVANT FOR BIOMEDICAL APPLICATIONS OF ORGANOMETALLIC COMPLEXES | MALLINCKRODT INC. (US) | 2007-06-28 | — | — | WO | disclosed |