⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27522886 | 0.95 | — | — | |
| SCHEMBL20340098 | 0.95 | — | — | |
| Methane SCHEMBL29287153 | 0.93 | — | — | |
| Triphenylene SCHEMBL28227248 | 0.88 | KDM4E (0.32) | — | |
| SCHEMBL3247839 | 0.71 | — | — | |
| SCHEMBL1239027 | 0.62 | — | — | |
| SCHEMBL5504007 | 0.62 | — | — | |
| SCHEMBL28166931 | 0.61 | — | — | |
| SCHEMBL1219278 | 0.60 | — | — | |
| Water SCHEMBL28785591 | 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 |
|---|---|---|---|---|---|---|---|
| CN-109912565-A | It is a kind of using cyano pyridine as the compound of core and its application in organic electroluminescence device | 江苏三月光电科技有限公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-109912564-A | It is a kind of using cyano pyridine as the compound of core and its application in OLED device | 江苏三月光电科技有限公司 | 2019-06-21 | — | — | CN | disclosed |