⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19239343 | 0.86 | KDM4E (0.38) | — | |
| SCHEMBL21212849 | 0.85 | GABRP (0.33) | — | |
| SCHEMBL19239298 | 0.85 | TSHR (0.31) | — | |
| SCHEMBL19239340 | 0.84 | AHR (0.32) | — | |
| SCHEMBL19234875 | 0.84 | ALOX5 (0.33) | — | |
| SCHEMBL19239337 | 0.83 | KDM4E (0.38) | — | |
| SCHEMBL19239346 | 0.83 | PRKDC (0.32) | — | |
| SCHEMBL24801407 | 0.83 | — | — | |
| SCHEMBL21716805 | 0.83 | GSR (0.34) | — | |
| SCHEMBL23026792 | 0.83 | NPC1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9876181-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2018-01-23 | — | — | US | disclosed |
| US-9876181-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2018-01-23 | — | — | US | disclosed |
| US-20170237017-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-08-17 | — | — | US | disclosed |
| US-20170237017-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-08-17 | — | — | US | disclosed |