⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21011949 | 0.97 | ALDH1A1 (0.44) | — | |
| SCHEMBL10642680 | 0.92 | — | — | |
| SCHEMBL6400664 | 0.90 | CYP1A2 (0.39) | — | |
| SCHEMBL9830506 | 0.88 | ALDH1A1 (0.41) | — | |
| SCHEMBL9239822 | 0.86 | GNAO1 (0.42) | — | |
| SCHEMBL11540777 | 0.86 | GNAO1 (0.42) | — | |
| SCHEMBL14256046 | 0.84 | CYP1A2 (0.35) | — | |
| SCHEMBL626744 | 0.84 | CYP1A2 (0.42) | — | |
| SCHEMBL3990249 | 0.83 | GNAO1 (0.40) | — | |
| SCHEMBL24294692 | 0.82 | GNAO1 (0.41) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104387372-B | Oxo azetidine derivatives, preparation method and its purposes in human medical and cosmetics | 盖尔德马研究及发展公司 | 2018-06-26 | — | — | CN | disclosed |
| EP-1790639-B1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS | ONO PHARMACEUTICAL CO (JP) | 2014-03-26 | — | — | EP | disclosed |
| EP-2643309-A1 | SYNTHESIS OF N-HETEROCYCLES BY REDUCTIVE ALKYLATION OF CYAN DERIVATIVES | Minakem (FR) | 2013-10-02 | — | — | EP | disclosed |
| WO-2012069566-A1 | SYNTHESIS OF N-HETEROCYCLES BY REDUCTIVE ALKYLATION OF CYAN DERIVATIVES | MINAKEM (FR) | 2012-05-31 | — | — | WO | disclosed |
| EP-1196165-A2 | AZETIDINE COMPOUNDS IN CNS AND EYE DISEASES | VERNALIS RESEARCH LIMITED (GB) | 2002-04-17 | — | — | EP | disclosed |
| EP-1071685-A4 | TITANIUM CATALYZED PREPARATION OF CARBAPENEM INTERMEDIATES | MERCK & CO INC (US) | 2001-07-18 | — | — | EP | disclosed |
| WO-2001007022-A2 | AZETIDINE COMPOUNDS IN CNS AND EYE DISEASES | VERNALIS RESEARCH LIMITED (GB) | 2001-02-01 | — | — | WO | disclosed |
| EP-1071685-A1 | TITANIUM CATALYZED PREPARATION OF CARBAPENEM INTERMEDIATES | Merck & Co., Inc. (US) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999052908-A1 | TITANIUM CATALYZED PREPARATION OF CARBAPENEM INTERMEDIATES | MERCK & CO., INC. (US) | 1999-10-21 | — | — | WO | disclosed |