⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL48247 | 0.96 | — | — | |
| SCHEMBL5562378 | 0.93 | — | — | |
| SCHEMBL6512873 | 0.93 | — | — | |
| SCHEMBL6517161 | 0.93 | — | — | |
| SCHEMBL7735432 | 0.93 | — | — | |
| SCHEMBL29594473 | 0.93 | IDO1 (0.93) | — | |
| Ethane SCHEMBL28774310 | 0.90 | IDO1 (0.87) | — | |
| Methane SCHEMBL27920925 | 0.90 | IDO1 (0.87) | — | |
| SCHEMBL20100980 | 0.87 | IDO1 (0.81) | — | |
| SCHEMBL6788619 | 0.87 | IDO1 (0.81) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106083762-A | Fertile a kind of preparation method for western spit of fland intermediate | 北京万全德众医药生物技术有限公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-105622546-A | Preparation method for vortioxetine | MAGUS PHARMACEUTICAL (XIAMEN) CO LTD | 2016-06-01 | — | — | CN | disclosed |
| CN-104628676-A | Preparation method of Vortioxetine | SHANGHAI INST PHARM INDUSTRY | 2015-05-20 | — | — | CN | disclosed |
| CN-104447621-A | Preparation method of Vortioxetine | SHANGHAI SINOFLYCHEM CO LTD | 2015-03-25 | — | — | CN | disclosed |
| CN-1319958-C | Phenyl piperazine derivatives as serotonin reuptake inhibitors | LUNDBECK & CO AS H (DK) | 2007-06-06 | — | — | CN | disclosed |
| CN-1561336-A | Phenyl-piperazine derivatives as serotonin reuptake inhibitors | LUNDBECK & CO AS H (DK) | 2005-01-05 | — | — | CN | disclosed |
| US-4156011-A | TREATMENT OF CARDIOVASCULAR DISORDERS | SOCIETE ANONYME DITE: LABORATOIRE L. LAFON (FR) | 1979-05-22 | — | — | US | disclosed |