⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4804408 | 0.75 | — | — | |
| SCHEMBL9692951 | 0.75 | — | — | |
| SCHEMBL4802079 | 0.75 | — | — | |
| SCHEMBL28398813 | 0.75 | — | — | |
| SCHEMBL4806683 | 0.71 | — | — | |
| SCHEMBL21295617 | 0.71 | ESR1 (0.42) | — | |
| SCHEMBL21295754 | 0.67 | KDM4E (0.37) | — | |
| SCHEMBL3483070 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL4750497 | 0.65 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL21295978 | 0.65 | KDM4E (0.50) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109311844-B | Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component | 东曹株式会社 | 2021-07-20 | — | — | CN | disclosed |
| 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 |
| US-7417064-B2 | 3-aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake | ELI LILLY AND COMPANY (US) | 2008-08-26 | — | — | US | disclosed |
| US-20060014779-A1 | 3-Aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norephinephrine reuptake | ELI LILLY AND COMPANY (US) | 2006-01-19 | — | — | US | disclosed |
| EP-1587782-A1 | 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE | Eli Lilly and Company (US) | 2005-10-26 | — | — | EP | disclosed |
| WO-2004043904-A1 | 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPHINEPHRINE REUPTAKE | ELI LILLY AND COMPANY (US) | 2004-05-27 | — | — | WO | disclosed |