⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12642868 | 0.70 | — | — | |
| SCHEMBL23280225 | 0.67 | NISCH (0.32) | — | |
| SCHEMBL22570845 | 0.67 | — | — | |
| SCHEMBL8952 | 0.65 | TSHR (0.39) | — | |
| SCHEMBL19593121 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL18725328 | 0.63 | CYP3A4 (0.38) | — | |
| SCHEMBL18874589 | 0.63 | EGFR (0.33) | — | |
| Bromide SCHEMBL647163 | 0.62 | TSHR (0.37) | — | |
| SCHEMBL16034408 | 0.62 | TSHR (0.37) | — | |
| SCHEMBL17431672 | 0.62 | TSHR (0.37) | — |
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-3461835-A1 | CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 | ContraVir Pharmaceuticals, Inc. (US) | 2019-04-03 | — | — | EP | disclosed |