⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21785189 | 1.00 | — | — | |
| SCHEMBL24580864 | 0.99 | — | — | |
| SCHEMBL21785937 | 0.98 | GPR84 (0.30) | — | |
| SCHEMBL24580215 | 0.98 | GPR84 (0.30) | — | |
| SCHEMBL21785760 | 0.98 | ALDH1A1 (0.30) | — | |
| SCHEMBL21785149 | 0.98 | ALDH1A1 (0.30) | — | |
| SCHEMBL24580554 | 0.98 | ALDH1A1 (0.30) | — | |
| SCHEMBL24580779 | 0.98 | — | — | |
| SCHEMBL24580727 | 0.98 | CDC14B (0.30) | — | |
| SCHEMBL21785498 | 0.98 | CDC14B (0.30) | — |
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-20220204520-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2022-06-30 | — | — | US | disclosed |