⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23912762 | 0.65 | — | — | |
| Carbamic Acid SCHEMBL15321134 | 0.60 | — | — | |
| SCHEMBL17211663 | 0.57 | KDM4E (0.31) | — | |
| SCHEMBL25612016 | 0.55 | POLB (0.30) | — | |
| SCHEMBL12861043 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL14844794 | 0.52 | NOS3 (0.48) | — | |
| SCHEMBL25379748 | 0.52 | — | — | |
| SCHEMBL9382712 | 0.52 | — | — | |
| SCHEMBL14185497 | 0.50 | GABRR1 (0.36) | — | |
| SCHEMBL1259103 | 0.48 | — | — |
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-109715630-A | β -lactamase inhibitor compounds | 恩塔西斯治疗有限公司 | 2019-05-03 | — | — | CN | disclosed |