⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28435187 | 0.72 | ENPP2 (0.30) | — | |
| SCHEMBL3939053 | 0.70 | — | — | |
| SCHEMBL16684925 | 0.70 | — | — | |
| SCHEMBL25249085 | 0.65 | CA2 (0.33) | — | |
| SCHEMBL29955061 | 0.65 | GABRA1 (0.37) | — | |
| SCHEMBL25318032 | 0.65 | ENPP2 (0.35) | — | |
| SCHEMBL14740685 | 0.65 | ENPP2 (0.43) | — | |
| SCHEMBL29957842 | 0.64 | — | — | |
| SCHEMBL388010 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL31192240 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11370965-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2022-06-28 | — | — | US | disclosed |
| EP-3681890-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2021-08-18 | — | — | EP | disclosed |
| US-20200291291-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-09-17 | — | — | US | disclosed |
| WO-2019052933-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2019-03-21 | — | — | WO | disclosed |