⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9688477 | 1.00 | — | — | |
| SCHEMBL10920226 | 0.79 | KMT2A (0.37) | — | |
| SCHEMBL10920229 | 0.79 | KMT2A (0.37) | — | |
| SCHEMBL9688451 | 0.78 | — | — | |
| SCHEMBL9688444 | 0.78 | — | — | |
| SCHEMBL9689393 | 0.77 | — | — | |
| SCHEMBL14877340 | 0.76 | ALDH1A1 (0.32) | — | |
| Acetic Acid SCHEMBL9687960 | 0.75 | — | — | |
| SCHEMBL14876883 | 0.73 | ESR1 (0.35) | — | |
| SCHEMBL9688535 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0517041-A1 | New Cephem Compounds | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1992-12-09 | — | — | EP | disclosed |