⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21588595 | 0.88 | MEN1 (0.31) | — | |
| SCHEMBL23077145 | 0.88 | — | — | |
| SCHEMBL23077156 | 0.85 | RARA (0.31) | — | |
| SCHEMBL21588544 | 0.84 | PIK3CA (0.32) | — | |
| SCHEMBL19246916 | 0.84 | — | — | |
| SCHEMBL23077171 | 0.82 | — | — | |
| SCHEMBL23077634 | 0.82 | GSR (0.32) | — | |
| SCHEMBL23077148 | 0.82 | — | — | |
| SCHEMBL23077136 | 0.82 | MEN1 (0.31) | — | |
| SCHEMBL23231234 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021043755-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2021-03-11 | — | — | WO | disclosed |