⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11914398 | 0.81 | CA12 (0.33) | — | |
| SCHEMBL18052889 | 0.80 | PTGS2 (0.32) | — | |
| SCHEMBL2606596 | 0.78 | PTGS2 (0.31) | — | |
| SCHEMBL10041248 | 0.76 | PTGS2 (0.34) | — | |
| SCHEMBL10214684 | 0.73 | PGR (0.34) | — | |
| SCHEMBL11914348 | 0.71 | PDK2 (0.31) | — | |
| SCHEMBL11914405 | 0.71 | PGR (0.32) | — | |
| SCHEMBL11914354 | 0.71 | NQO1 (0.30) | — | |
| SCHEMBL15434260 | 0.70 | KDM4E (0.35) | — | |
| SCHEMBL11914349 | 0.69 | L3MBTL1 (0.34) | — |
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-8241763-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2012-08-14 | — | — | US | disclosed |
| US-8241763-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2012-08-14 | — | — | US | disclosed |
| US-20090261717-A1 | NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2009-10-22 | — | — | US | disclosed |
| US-20090261717-A1 | NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2009-10-22 | — | — | US | disclosed |