⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11013672 | 0.73 | — | — | |
| SCHEMBL14077067 | 0.71 | TDP1 (0.38) | — | |
| SCHEMBL4409017 | 0.71 | — | — | |
| Dioxane SCHEMBL1109678 | 0.68 | TTR (0.50) | — | |
| SCHEMBL17920836 | 0.63 | — | — | |
| Tetrahydrofuran SCHEMBL2916425 | 0.63 | — | — | |
| Sulfurous Acid SCHEMBL27647147 | 0.61 | — | — | |
| SCHEMBL21516422 | 0.61 | — | — | |
| SCHEMBL16584000 | 0.61 | — | — | |
| Dioxane SCHEMBL27781593 | 0.60 | TTR (0.60) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4110397-A1 | SYSTEMS AND METHODS FOR PROTECTING NUCLEIC-ACID MOLECULES | The Board of Trustees of the Leland Stanford Junior University (US) | 2023-01-04 | — | — | EP | disclosed |
| WO-2012087782-A1 | PYRAZOLOPIPERIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-28 | — | — | WO | disclosed |
| US-7429579-B2 | Tetrahydrobenzazepine derivatives useful as modulators of dopamine D3 receptors (antipsychotic agents) | SMITHKLINE BEECHAM, PLC (GB) | 2008-09-30 | — | — | US | disclosed |
| EP-1734039-A1 | Aryl urea compounds as BETA-secretase inhibitors | Esbatech AG (CH) | 2006-12-20 | — | — | EP | disclosed |