⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20779911 | 0.77 | — | — | |
| SCHEMBL1658798 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL1658796 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL3685823 | 0.68 | — | — | |
| SCHEMBL15524650 | 0.68 | — | — | |
| SCHEMBL3685822 | 0.68 | — | — | |
| SCHEMBL24127607 | 0.67 | GRIK1 (0.31) | — | |
| SCHEMBL21699698 | 0.67 | — | — | |
| SCHEMBL12712177 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL14423275 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11130747-B2 | Plurality of host materials and an organic electroluminescence device comprising the same | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD (KR) | 2021-09-28 | — | — | US | disclosed |
| US-20170342057-A1 | A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME | DUPONT SPECIALTY MATERIALS KOREA LTD (KR) | 2017-11-30 | — | — | US | disclosed |