⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL85227 | 0.88 | HTT (0.33) | — | |
| SCHEMBL96690 | 0.81 | — | — | |
| SCHEMBL3436815 | 0.81 | — | — | |
| SCHEMBL12211345 | 0.81 | — | — | |
| SCHEMBL18272421 | 0.73 | CHRM2 (0.33) | — | |
| SCHEMBL12886557 | 0.73 | CHRNB2 (0.42) | — | |
| SCHEMBL13654464 | 0.73 | — | — | |
| SCHEMBL96929 | 0.73 | CHRNB2 (0.42) | — | |
| SCHEMBL12886555 | 0.73 | CHRNB2 (0.42) | — | |
| SCHEMBL96704 | 0.71 | NCF1 (0.52) | — |
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-1363876-B1 | GLUCOCORTICOID RECEPTOR MODULATORS | KAROBIO AB (SE) | 2009-07-29 | — | — | EP | disclosed |