⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25930277 | 0.97 | — | — | |
| SCHEMBL23058598 | 0.97 | — | — | |
| SCHEMBL23058325 | 0.97 | — | — | |
| SCHEMBL23058849 | 0.96 | PRKDC (0.31) | — | |
| SCHEMBL23058859 | 0.96 | — | — | |
| SCHEMBL23058654 | 0.95 | PLA2G10 (0.31) | — | |
| SCHEMBL23058285 | 0.94 | — | — | |
| SCHEMBL23058293 | 0.94 | PLA2G2A (0.31) | — | |
| SCHEMBL23058014 | 0.94 | — | — | |
| SCHEMBL23058104 | 0.94 | S1PR5 (0.33) | — |
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-2021037401-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2021-03-04 | — | — | WO | disclosed |