⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL662854 | 0.85 | TSHR (0.64) | — | |
| SCHEMBL2078198 | 0.83 | TSHR (0.68) | — | |
| SCHEMBL20679022 | 0.81 | USP2 (0.57) | — | |
| SCHEMBL9646959 | 0.81 | TDP1 (0.32) | — | |
| SCHEMBL1047571 | 0.81 | USP2 (0.57) | — | |
| SCHEMBL14015389 | 0.77 | — | — | |
| Ethane Dimethane Sulfonate SCHEMBL1336145 | 0.76 | USP2 (0.75) | — | |
| SCHEMBL14024388 | 0.73 | USP2 (0.48) | — | |
| SCHEMBL11604352 | 0.73 | — | — | |
| SCHEMBL18356628 | 0.73 | USP2 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023211103-A1 | FLUORINATED ALKYL SULFONE COMPOUND, AND NON-AQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY INCLUDING SAME | 주식회사 천보 | 2023-11-02 | — | — | WO | disclosed |
| EP-1221443-B1 | SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2004-09-01 | — | — | EP | disclosed |
| US-6699880-B1 | STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2004-03-02 | — | — | US | disclosed |
| EP-1221443-A1 | SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2002-07-10 | — | — | EP | disclosed |