⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27883549 | 0.70 | ALOX5 (0.36) | — | |
| SCHEMBL5540134 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL27826228 | 0.68 | — | — | |
| SCHEMBL712886 | 0.67 | ENPP3 (0.32) | — | |
| SCHEMBL931606 | 0.67 | — | — | |
| SCHEMBL114219 | 0.66 | ALDH1A1 (0.48) | — | |
| SCHEMBL5069072 | 0.66 | — | — | |
| SCHEMBL4585151 | 0.65 | ALOX5 (0.39) | — | |
| SCHEMBL9305619 | 0.65 | IMPDH2 (0.38) | — | |
| SCHEMBL12172666 | 0.64 | ALDH1A1 (0.60) | — |
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-8101290-B2 | Organic compound having electron-transporting and/or hole-blocking performance and its use and OLEDs comprising the compound | TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) | 2012-01-24 | — | — | US | claimed |
| CN-116096202-A | Multiple host materials and organic electroluminescent device comprising the same | 罗门哈斯电子材料韩国有限公司 | 2023-05-09 | — | — | CN | disclosed |