⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15031 | 0.72 | CALM1 (0.32) | — | |
| SCHEMBL9024878 | 0.72 | CALM1 (0.44) | — | |
| SCHEMBL2871136 | 0.71 | TAAR1 (0.42) | — | |
| SCHEMBL7881696 | 0.70 | P2RX7 (0.30) | — | |
| SCHEMBL8731668 | 0.69 | TAAR1 (0.39) | — | |
| SCHEMBL1531987 | 0.67 | IDO1 (0.37) | — | |
| SCHEMBL12816819 | 0.67 | MPO (0.35) | — | |
| SCHEMBL1532028 | 0.66 | IDO1 (0.41) | — | |
| SCHEMBL79754 | 0.65 | CALM1 (0.50) | — | |
| SCHEMBL10673816 | 0.64 | TAAR1 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112912372-A | Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element | 东曹株式会社 | 2021-06-04 | — | — | CN | disclosed |
| WO-2020085319-A1 | CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 | 2020-04-30 | — | — | WO | disclosed |
| WO-2019163959-A1 | CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 | 2019-08-29 | — | — | WO | disclosed |