⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27694855 | 0.68 | ALDH1A1 (0.44) | — | |
| SCHEMBL27676389 | 0.66 | KDM4E (0.35) | — | |
| SCHEMBL8024303 | 0.63 | — | — | |
| SCHEMBL17402403 | 0.62 | NAPRT (0.40) | — | |
| SCHEMBL9770304 | 0.61 | RXFP1 (0.39) | — | |
| SCHEMBL9679451 | 0.60 | KDM4E (0.37) | — | |
| SCHEMBL23030808 | 0.57 | KDM4E (0.41) | — | |
| SCHEMBL9100528 | 0.55 | ALDH1A1 (0.31) | — | |
| SCHEMBL7612410 | 0.54 | GABRP (0.44) | — | |
| SCHEMBL8514583 | 0.52 | KDM4E (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-87104995-A | 'beta '-lactam compounds and its preparation method, the composition that contains the treatment infectation of bacteria of this compound reaches the intermediate product of synthetic this compound | — | 1988-03-09 | — | — | CN | disclosed |