⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9522660 | 0.83 | — | — | |
| Formic Acid SCHEMBL27799648 | 0.64 | — | — | |
| SCHEMBL29426700 | 0.63 | — | — | |
| Aziridine SCHEMBL27622900 | 0.62 | — | — | |
| Formic Acid SCHEMBL29206779 | 0.61 | FFAR3 (0.33) | — | |
| Formic Acid SCHEMBL29049914 | 0.61 | — | — | |
| Formic Acid SCHEMBL8346716 | 0.61 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL314731 | 0.61 | — | — | |
| SCHEMBL75645 | 0.60 | — | — | |
| Piperazine SCHEMBL5875159 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992012155-A1 | NOVEL QUINOLONE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF | HANMI PHARMACEUTICAL CO., LTD. (KR) | 1992-07-23 | — | — | WO | disclosed |