⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9550360 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL16004444 | 0.72 | CTSL (0.30) | — | |
| Water SCHEMBL7070154 | 0.43 | IDH1 (0.41) | — | |
| SCHEMBL31325568 | 0.43 | — | — | |
| SCHEMBL200596 | 0.43 | — | — | |
| SCHEMBL31207086 | 0.43 | — | — | |
| Water SCHEMBL29123856 | 0.42 | KDM4E (0.46) | — | |
| SCHEMBL3648069 | 0.39 | — | — | |
| SCHEMBL333160 | 0.39 | — | — | |
| Nitric Oxide SCHEMBL4247178 | 0.39 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8847367-B2 | Organic electroluminescent device | NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) | 2014-09-30 | — | — | US | disclosed |
| US-8847367-B2 | Organic electroluminescent device | NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) | 2014-09-30 | — | — | US | disclosed |
| US-20110101319-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | NIPPON STEEL CHEMICAL CO., LTD. (JP) | 2011-05-05 | — | — | US | disclosed |
| US-20110101319-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | NIPPON STEEL CHEMICAL CO., LTD. (JP) | 2011-05-05 | — | — | US | disclosed |
| EP-2276085-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | Nippon Steel Chemical Co., Ltd. (JP) | 2011-01-19 | — | — | EP | disclosed |