⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21729760 | 0.78 | PTGS2 (0.33) | — | |
| SCHEMBL17257937 | 0.74 | CYP19A1 (0.32) | — | |
| SCHEMBL5006899 | 0.72 | UGT2B17 (0.30) | — | |
| SCHEMBL6334915 | 0.70 | UGT2B17 (0.49) | — | |
| SCHEMBL3167640 | 0.70 | UGT2B17 (0.49) | — | |
| SCHEMBL2968862 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL14043229 | 0.69 | CYP2D6 (0.34) | — | |
| SCHEMBL3664467 | 0.67 | — | — | |
| SCHEMBL15821830 | 0.65 | ACHE (0.39) | — | |
| SCHEMBL6336772 | 0.64 | ACHE (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3301098-B1 | PROCESS FOR THE PREPARATION OF A LIGAND FOR A CATALYST | BOREALIS AG (AT) | 2020-02-19 | — | — | EP | disclosed |