⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL782641 | 0.88 | PTGER4 (0.34) | — | |
| SCHEMBL782269 | 0.87 | — | — | |
| SCHEMBL782438 | 0.85 | PTGER4 (0.34) | — | |
| SCHEMBL802814 | 0.85 | — | — | |
| SCHEMBL29202837 | 0.81 | ALK (0.34) | — | |
| SCHEMBL783271 | 0.81 | ABCG2 (0.34) | — | |
| SCHEMBL2786649 | 0.79 | ABCG2 (0.31) | — | |
| SCHEMBL15337960 | 0.79 | KDM4E (0.38) | — | |
| SCHEMBL20200433 | 0.79 | — | — | |
| SCHEMBL15806078 | 0.78 | PTGER4 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9537105-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2017-01-03 | — | — | US | disclosed |
| US-20150318478-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2015-11-05 | — | — | US | disclosed |
| US-9126970-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2015-09-08 | — | — | US | disclosed |
| US-20120068170-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2012-03-22 | — | — | US | disclosed |
| WO-2010136109-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2010-12-02 | — | — | WO | disclosed |