⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4660660 | 1.00 | — | — | |
| SCHEMBL4662117 | 1.00 | — | — | |
| SCHEMBL6175316 | 1.00 | — | — | |
| SCHEMBL6634636 | 1.00 | — | — | |
| SCHEMBL18889064 | 0.83 | — | — | |
| SCHEMBL10084425 | 0.83 | — | — | |
| SCHEMBL20260738 | 0.72 | — | — | |
| SCHEMBL19647629 | 0.70 | CA1 (0.46) | — | |
| SCHEMBL18984256 | 0.69 | — | — | |
| SCHEMBL562973 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024044731-A1 | DIAZEPINO-THIENO-QUINOXALINE COMPOUNDS AND THEIR USE IN THERAPY | MATCHPOINT THERAPEUTICS INC. (US) | 2024-02-29 | — | — | WO | disclosed |
| WO-2017046459-A1 | USE OF COMPOUNDS INCLUDING A SULFOXIDE OR SULFONE FUNCTION AND AN AMIDE FUNCTION AS SOLVENTS AND NEW SOLVENTS | ARKEMA FRANCE (FR) | 2017-03-23 | — | — | WO | disclosed |
| US-4990683-A | Process for preparing 3-pyrrolidinols | A. H. ROBINS COMPANY, INCORPORATED (US) | 1991-02-05 | — | — | US | disclosed |