⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9749503 | 1.00 | — | — | |
| SCHEMBL9749501 | 1.00 | — | — | |
| SCHEMBL9749508 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL5821531 | 0.99 | — | — | |
| Acetic Acid SCHEMBL28448165 | 0.97 | — | — | |
| SCHEMBL13806071 | 0.96 | — | — | |
| SCHEMBL2638946 | 0.96 | — | — | |
| SCHEMBL2487430 | 0.96 | — | — | |
| SCHEMBL2638948 | 0.96 | — | — | |
| SCHEMBL9747502 | 0.94 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110845354-B | Preparation method of cilastatin sodium intermediate | 鲁南制药集团股份有限公司 | 2020-08-25 | — | — | CN | disclosed |
| CN-110845354-A | Preparation method of cilastatin sodium intermediate | 鲁南制药集团股份有限公司 | 2020-02-28 | — | — | CN | disclosed |