⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10597909 | 0.97 | CYP1A2 (0.42) | — | |
| SCHEMBL2501008 | 0.97 | CYP1A2 (0.42) | — | |
| SCHEMBL2502237 | 0.97 | CYP1A2 (0.42) | — | |
| SCHEMBL546421 | 0.97 | CYP1A2 (0.42) | — | |
| SCHEMBL2494000 | 0.97 | CYP1A2 (0.42) | — | |
| Methyl Alcohol SCHEMBL11401827 | 0.91 | CYP1A2 (0.43) | — | |
| SCHEMBL1287882 | 0.88 | — | — | |
| Bicarbonate SCHEMBL10356977 | 0.87 | HPGD (0.40) | — | |
| SCHEMBL7078699 | 0.84 | CYP1A2 (0.46) | — | |
| SCHEMBL7741333 | 0.84 | ALDH1A1 (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118084726-A | 1-Cyano-2-hydroxy-5-fluoro compound and preparation method thereof | 南京工业大学 | 2024-05-28 | — | — | CN | claimed |
| US-3984416-A | Substituted quinoline-8-carboxamido ethyl benzene-sulfonyl N-cyclopentylmethyl urea | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-10-05 | — | — | US | claimed |
| CN-118084726-A | 1-Cyano-2-hydroxy-5-fluoro compound and preparation method thereof | 南京工业大学 | 2024-05-28 | — | — | CN | disclosed |
| WO-2017147410-A1 | COMPOUNDS THAT INHIBIT MCL-1 PROTEIN | AMGEN INC. (US) | 2017-08-31 | — | — | WO | disclosed |
| US-3984416-A | Substituted quinoline-8-carboxamido ethyl benzene-sulfonyl N-cyclopentylmethyl urea | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-10-05 | — | — | US | disclosed |
| US-3984416-A | Substituted quinoline-8-carboxamido ethyl benzene-sulfonyl N-cyclopentylmethyl urea | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-10-05 | — | — | US | disclosed |
| US-3927088-A | Sulfonyl ureas and process for preparing them | HOECHST AG | 1975-12-16 | — | — | US | disclosed |