⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27286657 | 0.97 | — | — | |
| SCHEMBL2120 | 0.96 | — | — | |
| Water SCHEMBL28104228 | 0.96 | — | — | |
| Arsenic SCHEMBL28111875 | 0.93 | — | — | |
| SCHEMBL26114195 | 0.93 | — | — | |
| SCHEMBL28091377 | 0.93 | — | — | |
| SCHEMBL6441177 | 0.93 | — | — | |
| SCHEMBL27696969 | 0.93 | — | — | |
| SCHEMBL27282154 | 0.93 | — | — | |
| SCHEMBL27456203 | 0.93 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108093636-A | Indoleamine 2, 3-dioxygenase inhibitors for the treatment of cancer | 百时美施贵宝公司 | 2018-05-29 | — | — | CN | disclosed |
| CN-107743481-A | Indoleamine 2, 3-dioxygenase inhibitors for the treatment of cancer | 百时美施贵宝公司 | 2018-02-27 | — | — | CN | disclosed |
| CN-107743490-A | For the indoleamine 2 for the treatment of cancer, 3 dioxygenase inhibitors | 百时美施贵宝公司 | 2018-02-27 | — | — | CN | disclosed |
| CN-107580602-A | The nucleoside analog of 5 ' substitutions | 伊莱利利公司 | 2018-01-12 | — | — | CN | disclosed |
| CN-107278205-A | Substituted nucleoside derivates as anticarcinogen | 辉瑞大药厂 | 2017-10-20 | — | — | CN | disclosed |
| CN-102666535-B | Imidazole derivatives as aldosterone synthase inhibitors | NOVARTIS AG | 2015-02-25 | — | — | CN | disclosed |
| EP-1682526-B1 | METHOD FOR THE PREPARATION OF CITALOPRAM | ADORKEM TECHNOLOGY SPA (IT) | 2009-01-14 | — | — | EP | disclosed |
| EP-1682526-A1 | METHOD FOR THE PREPARATION OF CITALOPRAM | Adorkem Technology SpA (IT) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005066185-A1 | PROCESS FOR PREPARING 5-SUBSTITUTED -1-(4-FLUOROPHENYL) -1,3-DIHYDROISOBENZOFURANS | JUBILANT ORGANOSYS LIMITED (IN) | 2005-07-21 | — | — | WO | disclosed |
| WO-2005049595-A1 | METHOD FOR THE PREPARATION OF CITALOPRAM | ADORKEM TECHNOLOGY SPA (IT) | 2005-06-02 | — | — | WO | disclosed |
| CN-1178936-C | Sulfonyl-pyrrolidine derivatives useful for treatment of neurological disorders | - | 2004-12-08 | — | — | CN | disclosed |
| CN-1440405-A | Sulfonyl-pyrrolidine derivatives useful for treatment of neurological disorders | HOFFMANN LA ROCHE (CH) | 2003-09-03 | — | — | CN | disclosed |
| CN-1370176-A | Subsstituted heterocycle fused gamma-carbolines | BRISTOL MYERS SQUIBB CO (US) | 2002-09-18 | — | — | CN | disclosed |