⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37237 | 0.78 | — | — | |
| SCHEMBL28515202 | 0.75 | — | — | |
| SCHEMBL28667765 | 0.75 | — | — | |
| SCHEMBL6276099 | 0.75 | — | — | |
| Water SCHEMBL14931409 | 0.75 | — | — | |
| SCHEMBL6070425 | 0.73 | ALDH1A1 (0.35) | — | |
| Methane SCHEMBL4601051 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL11693893 | 0.69 | — | — | |
| SCHEMBL7511657 | 0.69 | — | — | |
| SCHEMBL3134048 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2011562-A | — | — | None | — | — | JP | disclosed |
| EP-1226146-A2 | QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS | ABBOTT LABORATORIES (US) | 2002-07-31 | — | — | EP | disclosed |
| US-20020049223-A1 | Quinoline and naphthyridine carboxylic acid antibacterials | ABBOTT LABORATORIES | 2002-04-25 | — | — | US | disclosed |
| WO-2001032655-A2 | QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS | ABBOTT LABORATORIES (US) | 2001-05-10 | — | — | WO | disclosed |
| JP-H0211562-A | PRODUCTION OF 4-METHYL-3-THIOSEMICARBAZIDE | ELI LILLY & CO | 1990-01-16 | — | — | JP | disclosed |