⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29145 | 0.95 | — | — | |
| Propane SCHEMBL28230936 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL27374974 | 0.75 | CA4 (0.30) | — | |
| SCHEMBL1611767 | 0.73 | — | — | |
| SCHEMBL263794 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL27433088 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL9248203 | 0.64 | — | — | |
| SCHEMBL1988280 | 0.62 | — | — | |
| SCHEMBL18221756 | 0.62 | — | — | |
| SCHEMBL4389530 | 0.61 | — | — |
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 |