⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27567944 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL664296 | 0.57 | OPRM1 (0.43) | — | |
| SCHEMBL12542872 | 0.55 | — | — | |
| SCHEMBL161629 | 0.54 | NPC1 (0.44) | — | |
| SCHEMBL17316802 | 0.52 | OPRM1 (0.32) | — | |
| SCHEMBL27749701 | 0.49 | — | — | |
| Water SCHEMBL28196884 | 0.49 | TSHR (0.48) | — | |
| SCHEMBL9033540 | 0.49 | — | — | |
| SCHEMBL28328574 | 0.49 | — | — | |
| SCHEMBL2649526 | 0.49 | — | — |
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 |