⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21790740 | 0.95 | — | — | |
| SCHEMBL21790985 | 0.95 | — | — | |
| SCHEMBL21790612 | 0.95 | — | — | |
| SCHEMBL21790881 | 0.93 | — | — | |
| SCHEMBL21790614 | 0.93 | — | — | |
| SCHEMBL21790607 | 0.92 | — | — | |
| SCHEMBL21790745 | 0.90 | — | — | |
| SCHEMBL21790760 | 0.90 | — | — | |
| SCHEMBL21790920 | 0.90 | — | — | |
| SCHEMBL22388899 | 0.90 | MAPT (0.32) | — |
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 |