⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8106600 | 0.78 | CA2 (0.36) | — | |
| SCHEMBL5590447 | 0.74 | — | — | |
| SCHEMBL4967470 | 0.73 | BCL2 (0.34) | — | |
| SCHEMBL5526052 | 0.73 | BCL2 (0.34) | — | |
| SCHEMBL2741240 | 0.71 | CA2 (0.35) | — | |
| SCHEMBL27636718 | 0.71 | BCL2 (0.33) | — | |
| SCHEMBL784952 | 0.70 | CA2 (0.38) | — | |
| SCHEMBL24599551 | 0.68 | — | — | |
| SCHEMBL24599549 | 0.68 | GABRA1 (0.33) | — | |
| SCHEMBL784967 | 0.68 | CA2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160347789-A1 | Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures | BASF SE (DE) | 2016-12-01 | — | — | US | disclosed |