⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11300055 | 0.77 | — | — | |
| SCHEMBL2226493 | 0.77 | ALDH1A1 (0.73) | — | |
| SCHEMBL9093586 | 0.74 | — | — | |
| SCHEMBL22711914 | 0.74 | ALDH1A1 (0.69) | — | |
| Water SCHEMBL3044414 | 0.71 | ALDH1A1 (0.65) | — | |
| Water SCHEMBL3041860 | 0.71 | ALDH1A1 (0.65) | — | |
| SCHEMBL21538410 | 0.71 | — | — | |
| Pyrrolidine Dithiocarbamate SCHEMBL322100 | 0.71 | — | — | |
| SCHEMBL5678092 | 0.69 | — | — | |
| SCHEMBL6040453 | 0.69 | ALDH1A1 (0.93) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5672600-A | Antimicrobial dithiocarbamoyl quinolones | THE PROCTER & GAMBLE COMPANY (US) | 1997-09-30 | — | — | US | disclosed |
| US-5387748-A | Antimicrobial dithiocarbamoyl quinolones | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1995-02-07 | — | — | US | disclosed |
| WO-1990004591-A1 | NOVEL ANTIMICROBIAL DITHIOCARBAMOYL QUINOLONES | NORWICH EATON PHARMACEUTICALS, INC. (US) | 1990-05-03 | — | — | WO | disclosed |
| EP-0366643-A2 | Novel antimicrobial dithiocarbamoyl quinolones | Norwich Eaton Pharmaceuticals, Inc. (US) | 1990-05-02 | — | — | EP | disclosed |