⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18722490 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL22421189 | 0.71 | — | — | |
| SCHEMBL27049846 | 0.71 | — | — | |
| SCHEMBL466049 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL3797017 | 0.65 | — | — | |
| SCHEMBL23662693 | 0.64 | GRIN2D (0.33) | — | |
| SCHEMBL19199604 | 0.64 | GRIN2D (0.33) | — | |
| SCHEMBL26450637 | 0.64 | OPRM1 (0.33) | — | |
| SCHEMBL26450632 | 0.64 | OPRM1 (0.33) | — | |
| SCHEMBL26450636 | 0.64 | OPRM1 (0.33) | — |
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-3102637-B1 | METHOD FOR PURIFICATION OF ANTIBODIES, ANTIBODY FRAGMENTS OR ENGINEERED VARIANTS THEREOF USING SPECIFIC ANTHRAQUINONE DYE-LIGAND STRUCTURES | BASF SE (DE) | 2018-04-11 | — | — | EP | disclosed |