⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17108438 | 0.78 | NQO1 (0.33) | — | |
| SCHEMBL12921180 | 0.57 | — | — | |
| SCHEMBL19887088 | 0.55 | — | — | |
| SCHEMBL18948081 | 0.51 | PTPRC (0.39) | — | |
| SCHEMBL21841881 | 0.47 | — | — | |
| SCHEMBL1627657 | 0.46 | HTR2A (0.48) | — | |
| SCHEMBL899206 | 0.46 | — | — | |
| SCHEMBL9619597 | 0.46 | — | — | |
| SCHEMBL2971268 | 0.46 | — | — | |
| Ammonia Solution, Strong SCHEMBL11465690 | 0.45 | HTR2A (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2906662-B1 | EMITTER AND HOSTS WITH AROMATIC UNITS | MERCK PATENT GMBH (DE) | 2020-04-01 | — | — | EP | disclosed |
| US-20150303397-A1 | INORGANIC BARRIER LAYERS | MERCK PATENT GMBH (DE) | 2015-10-22 | — | — | US | disclosed |
| US-20150303397-A1 | INORGANIC BARRIER LAYERS | MERCK PATENT GMBH (DE) | 2015-10-22 | — | — | US | disclosed |
| US-20150270489-A1 | EMITTER AND HOSTS WITH AROMATIC UNITS | MERCK PATENT GMBH (DE) | 2015-09-24 | — | — | US | disclosed |
| US-20150270489-A1 | EMITTER AND HOSTS WITH AROMATIC UNITS | MERCK PATENT GMBH (DE) | 2015-09-24 | — | — | US | disclosed |