⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9540522 | 0.86 | — | — | |
| SCHEMBL29060211 | 0.78 | — | — | |
| SCHEMBL27684211 | 0.77 | — | — | |
| SCHEMBL9080174 | 0.77 | — | — | |
| SCHEMBL20535312 | 0.76 | — | — | |
| SCHEMBL19285430 | 0.75 | KDM4E (0.38) | — | |
| SCHEMBL11119 | 0.74 | — | — | |
| SCHEMBL368094 | 0.74 | ADRB2 (0.35) | — | |
| SCHEMBL27797365 | 0.74 | — | — | |
| SCHEMBL20921271 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240025862-A1 | SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AKTIENGESELLSCHAFT (DE) | 2024-01-25 | — | — | US | disclosed |
| EP-4230621-A1 | SUBSTITUTED N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS | Bayer AG (DE) | 2023-08-23 | — | — | EP | disclosed |
| US-20210106944-A1 | ABSORBENT COMPOSITIONS INCLUDING AMINO-SILOXANES | BAKER HUGHES ENERGY SERVICES LLC | 2021-04-15 | — | — | US | disclosed |
| EP-3609604-A1 | ABSORBENT COMPOSITIONS INCLUDING AMINO-SILOXANES | GE Oil & Gas, Inc. (US) | 2020-02-19 | — | — | EP | disclosed |
| WO-2018190815-A1 | ABSORBENT COMPOSITIONS INCLUDING AMINO-SILOXANES | GE Oil & Gas, Inc. (US) | 2018-10-18 | — | — | WO | disclosed |
| EP-2899192-A1 | Diazabicyclo[4.3.1]decane derivatives for treatment of psychiatric disorders | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2015-07-29 | — | — | EP | disclosed |
| US-20080221361-A1 | Ionic Liquids | BIONIQS LIMITED (GB) | 2008-09-11 | — | — | US | disclosed |
| EP-1948589-A1 | IONIC LIQUIDS | Bioniqs Limited (GB) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007036712-A1 | IONIC LIQUIDS | BIONIQS LIMITED (GB) | 2007-04-05 | — | — | WO | disclosed |