⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9818144 | 0.80 | KCNH3 (0.38) | — | |
| SCHEMBL2034414 | 0.79 | — | — | |
| SCHEMBL1927524 | 0.76 | — | — | |
| SCHEMBL464628 | 0.76 | — | — | |
| SCHEMBL2514383 | 0.76 | — | — | |
| SCHEMBL24996046 | 0.76 | — | — | |
| SCHEMBL10907196 | 0.76 | — | — | |
| SCHEMBL12722834 | 0.76 | — | — | |
| SCHEMBL7341954 | 0.76 | — | — | |
| SCHEMBL2738310 | 0.76 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1249448-B1 | 3-Acetyl-n-substituted-3-aminomethyltetrahydroguran-2-one derivative and process therefor | DAICEL CHEM (JP) | 2010-12-15 | — | — | EP | claimed |
| US-6498258-B2 | SUCH AS 3-ACETYL-N,N-DIBENZYL-3-AMINOMETHYLTETRAHYDROFURAN-2-ONE FORMED VIA AMINOMETHYLATION WITH FORMALDEHYDE AND PRIMARY/SECONDARY AMINE; DEACYLATION; HYDROGENOLYSIS | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-12-24 | — | — | US | claimed |
| US-20020151727-A1 | 3-ACETYL-N-SUBSTITUTED-3-AMINOMETHYLTETRAHYDROFURAN-2-ONE DERIVATIVE AND PRODUCTION PROCESS THEREFOR | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-10-17 | — | — | US | claimed |
| EP-1249448-A1 | 3-Acetyl-n-substituted-3-aminomethyltetrahydroguran-2-one derivative and process therefor | Daicel Chemical Industries, Ltd. (JP) | 2002-10-16 | — | — | EP | claimed |
| CN-117396201-A | Methods and materials for treatment of neisseria gonorrhoeae infection | 普渡研究基金会 | 2024-01-12 | — | — | CN | disclosed |
| WO-2023150719-A1 | ALPHA-METHYLENE AND AMINOMETHYL LACTONES AND LACTAMS FOR TREATMENT OF CLOSTRIDIOIDES DIFFICILE INFECTION (CDI) | PURDUE RESEARCH FOUNDATION (US) | 2023-08-10 | — | — | WO | disclosed |
| US-20210317099-A1 | SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS | PURDUE RESEARCH FOUNDATION (US) | 2021-10-14 | — | — | US | disclosed |
| WO-2013030216-A1 | NOVEL SOFT ROCK INHIBITORS | AMAKEM NV (BE) | 2013-03-07 | — | — | WO | disclosed |
| EP-1249448-B1 | 3-Acetyl-n-substituted-3-aminomethyltetrahydroguran-2-one derivative and process therefor | DAICEL CHEM (JP) | 2010-12-15 | — | — | EP | disclosed |
| US-6498258-B2 | SUCH AS 3-ACETYL-N,N-DIBENZYL-3-AMINOMETHYLTETRAHYDROFURAN-2-ONE FORMED VIA AMINOMETHYLATION WITH FORMALDEHYDE AND PRIMARY/SECONDARY AMINE; DEACYLATION; HYDROGENOLYSIS | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-12-24 | — | — | US | disclosed |
| US-20020151727-A1 | 3-ACETYL-N-SUBSTITUTED-3-AMINOMETHYLTETRAHYDROFURAN-2-ONE DERIVATIVE AND PRODUCTION PROCESS THEREFOR | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-10-17 | — | — | US | disclosed |
| EP-1249448-A1 | 3-Acetyl-n-substituted-3-aminomethyltetrahydroguran-2-one derivative and process therefor | Daicel Chemical Industries, Ltd. (JP) | 2002-10-16 | — | — | EP | disclosed |