⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2031589 | 0.94 | — | — | |
| SCHEMBL6672711 | 0.88 | — | — | |
| SCHEMBL2201861 | 0.79 | SMN1; SMN2 (0.54) | — | |
| SCHEMBL28256491 | 0.79 | EPHX2 (0.36) | — | |
| SCHEMBL6113076 | 0.77 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL28822521 | 0.75 | EPHX2 (0.33) | — | |
| SCHEMBL28209666 | 0.74 | — | — | |
| SCHEMBL2202711 | 0.73 | CES2 (0.53) | — | |
| SCHEMBL304922 | 0.72 | — | — | |
| SCHEMBL2833747 | 0.72 | SMN1; SMN2 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105612583-A | Closed evaporation system | GE HEALTHCARE LTD | 2016-05-25 | — | — | CN | claimed |
| CN-109053616-A | The inhibitor of label and application thereof of prostate-specific membrane antigen (PSMA) | 德国癌症研究中心 | 2018-12-21 | — | — | CN | disclosed |
| CN-105636924-B | Labeled inhibitors of Prostate Specific Membrane Antigen (PSMA), their use as imaging agents and agents for treating prostate cancer | 德国癌症研究中心 | 2018-08-07 | — | — | CN | disclosed |
| CN-105612583-B | Closed evaporation system | 通用电气健康护理有限公司 | 2018-05-29 | — | — | CN | disclosed |
| CN-105636924-A | Labeled inhibitors of Prostate Specific Membrane Antigen (PSMA), their use as imaging agents and agents for treating prostate cancer | DEUTSCHES KREBSFORSCH | 2016-06-01 | — | — | CN | disclosed |
| CN-105612583-A | Closed evaporation system | GE HEALTHCARE LTD | 2016-05-25 | — | — | CN | disclosed |
| US-20120189546-A1 | Radiolabelling Method Using Cycloalkyl Groups | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-07-26 | — | — | US | disclosed |
| EP-2454230-A1 | RADIOLABELLING METHOD USING CYCLOALKYL GROUPS | Bayer Pharma Aktiengesellschaft (DE) | 2012-05-23 | — | — | EP | disclosed |
| WO-2011006621-A1 | RADIOLABELLING METHOD USING CYCLOALKYL GROUPS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-01-20 | — | — | WO | disclosed |