⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4291434 | 0.97 | ALDH1A1 (0.31) | — | |
| SCHEMBL9203032 | 0.88 | — | — | |
| SCHEMBL29016963 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL115881 | 0.72 | — | — | |
| SCHEMBL1459698 | 0.71 | — | — | |
| SCHEMBL11148301 | 0.70 | — | — | |
| SCHEMBL175923 | 0.70 | — | — | |
| SCHEMBL5571877 | 0.70 | ADH1A (0.34) | — | |
| SCHEMBL119021 | 0.69 | — | — | |
| SCHEMBL304571 | 0.69 | ALDH1A1 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0607334-B1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS | DU PONT MERCK PHARMA (US) | 1997-07-30 | — | — | EP | claimed |
| US-3984416-A | Substituted quinoline-8-carboxamido ethyl benzene-sulfonyl N-cyclopentylmethyl urea | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-10-05 | — | — | US | claimed |
| 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 |