⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21790934 | 0.96 | ALDH1A1 (0.33) | — | |
| SCHEMBL21790935 | 0.95 | CDC14B (0.31) | — | |
| SCHEMBL21790718 | 0.95 | CDC14B (0.31) | — | |
| SCHEMBL21790634 | 0.94 | CDC14B (0.31) | — | |
| SCHEMBL21790890 | 0.94 | — | — | |
| SCHEMBL21790987 | 0.93 | — | — | |
| SCHEMBL24580159 | 0.92 | — | — | |
| SCHEMBL21790785 | 0.91 | — | — | |
| SCHEMBL21790782 | 0.91 | — | — | |
| SCHEMBL22389043 | 0.91 | CDC14B (0.31) | — |
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-2020043646-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-03-05 | — | — | WO | disclosed |