⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25556901 | 0.90 | — | — | |
| SCHEMBL23543995 | 0.88 | — | — | |
| SCHEMBL19773559 | 0.87 | — | — | |
| SCHEMBL22755852 | 0.86 | KDM1A (0.35) | — | |
| SCHEMBL879274 | 0.86 | KDM1A (0.35) | — | |
| SCHEMBL14067605 | 0.86 | KDM1A (0.35) | — | |
| SCHEMBL26047841 | 0.86 | — | — | |
| SCHEMBL13446863 | 0.85 | — | — | |
| SCHEMBL20714278 | 0.85 | ALDH1A1 (0.34) | — | |
| SCHEMBL20686440 | 0.85 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012110182-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2012-08-23 | — | — | WO | disclosed |
| EP-2261302-A1 | Organic electroluminescence device and anthracene derivative | Idemitsu Kosan Co., Ltd. (JP) | 2010-12-15 | — | — | EP | disclosed |