⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29163489 | 0.76 | — | — | |
| SCHEMBL17486920 | 0.73 | — | — | |
| SCHEMBL2906834 | 0.73 | — | — | |
| SCHEMBL6052839 | 0.67 | DPP4 (0.32) | — | |
| SCHEMBL1044261 | 0.62 | — | — | |
| SCHEMBL11443917 | 0.62 | — | — | |
| SCHEMBL11064739 | 0.62 | TSHR (0.41) | — | |
| SCHEMBL6155982 | 0.62 | — | — | |
| SCHEMBL1577724 | 0.60 | — | — | |
| SCHEMBL7830014 | 0.59 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080119662-A1 | One Spot Synthesis of Citalopram from 5-Cyanophthalide | JUBILANT ORGANOSYS LIMTED (IN) | 2008-05-22 | — | — | US | claimed |
| EP-1723133-A1 | ONE POT SYNTHESIS OF CITALOPRAM FROM 5-CYANOPHTHALIDE | Jubilant Organosys Limited (IN) | 2006-11-22 | — | — | EP | claimed |
| WO-2005077927-A1 | ONE POT SYNTHESIS OF CITALOPRAM FROM 5-CYANOPHTHALIDE | JUBILANT ORGANOSYS LIMITED (IN) | 2005-08-25 | — | — | WO | claimed |
| US-20080119662-A1 | One Spot Synthesis of Citalopram from 5-Cyanophthalide | JUBILANT ORGANOSYS LIMTED (IN) | 2008-05-22 | — | — | US | disclosed |
| EP-1723133-A1 | ONE POT SYNTHESIS OF CITALOPRAM FROM 5-CYANOPHTHALIDE | Jubilant Organosys Limited (IN) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005077927-A1 | ONE POT SYNTHESIS OF CITALOPRAM FROM 5-CYANOPHTHALIDE | JUBILANT ORGANOSYS LIMITED (IN) | 2005-08-25 | — | — | WO | disclosed |