⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20007065 | 0.83 | ALOX5AP (0.34) | — | |
| SCHEMBL20007062 | 0.71 | HSD17B1 (0.38) | — | |
| SCHEMBL21398041 | 0.69 | HPGDS (0.36) | — | |
| SCHEMBL19933579 | 0.69 | FEN1 (0.43) | — | |
| SCHEMBL19933615 | 0.67 | ALOX5AP (0.40) | — | |
| SCHEMBL19794445 | 0.67 | LDHA (0.43) | — | |
| SCHEMBL19794461 | 0.65 | ALOX5AP (0.40) | — | |
| SCHEMBL21202875 | 0.64 | ALOX5AP (0.31) | — | |
| SCHEMBL21721916 | 0.64 | ALOX5AP (0.39) | — | |
| SCHEMBL20007064 | 0.63 | KDR (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11136343-B2 | Binuclear metal complexes for use as emitters in organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2021-10-05 | — | — | US | disclosed |
| US-20190292210-A1 | BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2019-09-26 | — | — | US | disclosed |