⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27365201 | 0.78 | — | — | |
| SCHEMBL29341594 | 0.76 | — | — | |
| SCHEMBL23665006 | 0.76 | — | — | |
| SCHEMBL19890646 | 0.74 | — | — | |
| SCHEMBL21183414 | 0.71 | — | — | |
| SCHEMBL26003307 | 0.71 | SIGMAR1 (0.30) | — | |
| SCHEMBL14581443 | 0.69 | — | — | |
| SCHEMBL12672073 | 0.68 | — | — | |
| SCHEMBL15508658 | 0.68 | — | — | |
| SCHEMBL262378 | 0.68 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2970176-B1 | MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO | CORTEVA AGRISCIENCE LLC (US) | 2023-10-25 | — | — | EP | disclosed |
| US-20120216678-A1 | ABSORBENT COMPOSITION AND PROCESS FOR REMOVING CO2 AND/OR H2S FROM A GAS COMPRISING CO2 AND/OR H2S | SHELL OIL COMPANY | 2012-08-30 | — | — | US | disclosed |
| EP-2464444-A1 | ABSORBENT COMPOSITION AND PROCESS FOR REMOVING CO2 AND/OR H2S FROM A GAS COMPRISING CO2 AND/OR H2S | Shell Internationale Research Maatschappij B.V. (NL) | 2012-06-20 | — | — | EP | disclosed |
| WO-2011018479-A1 | ABSORBENT COMPOSITION AND PROCESS FOR REMOVING CO2 AND/OR H2S FROM A GAS COMPRISING CO2 AND/OR H2S | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2011-02-17 | — | — | WO | disclosed |
| EP-2283911-A1 | Process for removing CO2 and/or H2S from a gas comprising CO2 and/or H2S | Shell Internationale Research Maatschappij B.V. (NL) | 2011-02-16 | — | — | EP | disclosed |