⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5156569 | 0.66 | — | — | |
| SCHEMBL11315102 | 0.66 | — | — | |
| SCHEMBL6793987 | 0.61 | — | — | |
| SCHEMBL18357510 | 0.61 | ALDH1A1 (0.44) | — | |
| Dimethyl Sulfoxide SCHEMBL28631056 | 0.57 | ALDH1A1 (0.74) | — | |
| SCHEMBL19919468 | 0.57 | CYP3A4 (0.30) | — | |
| SCHEMBL20220003 | 0.56 | ALDH1A1 (0.50) | — | |
| SCHEMBL14507522 | 0.56 | L3MBTL1 (0.39) | — | |
| SCHEMBL3247261 | 0.56 | KDR (0.43) | — | |
| SCHEMBL17613753 | 0.54 | — | — |
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-2007056468-A1 | METHODS FOR INHIBITING PROTEIN KINASES | SCHERING CORPORATION (US) | 2007-05-18 | — | — | WO | disclosed |