⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15895386 | 0.95 | KDM4E (0.33) | — | |
| SCHEMBL2606559 | 0.94 | PGR (0.33) | — | |
| SCHEMBL802263 | 0.92 | PGR (0.33) | — | |
| SCHEMBL2606510 | 0.92 | — | — | |
| SCHEMBL19565234 | 0.91 | PGR (0.32) | — | |
| SCHEMBL17933103 | 0.91 | CYP2C19 (0.32) | — | |
| SCHEMBL17524531 | 0.91 | — | — | |
| SCHEMBL12594511 | 0.90 | ALDH1A1 (0.33) | — | |
| SCHEMBL355200 | 0.90 | — | — | |
| SCHEMBL18052899 | 0.89 | SRC (0.30) | — |
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-8932732-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2015-01-13 | — | — | US | disclosed |
| US-8932732-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2015-01-13 | — | — | US | disclosed |
| EP-2024310-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2012-03-14 | — | — | EP | disclosed |
| US-20090184313-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2009-07-23 | — | — | US | disclosed |
| US-20090184313-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2009-07-23 | — | — | US | disclosed |