⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2570122 | 1.00 | — | — | |
| SCHEMBL31738434 | 1.00 | — | — | |
| SCHEMBL10934027 | 0.91 | — | — | |
| SCHEMBL1446567 | 0.70 | — | — | |
| SCHEMBL7540860 | 0.70 | — | — | |
| SCHEMBL14685879 | 0.69 | — | — | |
| SCHEMBL321501 | 0.67 | — | — | |
| SCHEMBL11269 | 0.67 | — | — | |
| SCHEMBL11323692 | 0.65 | — | — | |
| SCHEMBL7540865 | 0.63 | — | — |
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-109142586-B | Method for determining content of atorvastatin calcium intermediate ATS-9 and impurity B thereof by liquid chromatography | 河南师范大学 | 2021-04-30 | — | — | CN | disclosed |
| EP-0171832-A2 | Camphor derivatives, their preparation and their use | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1986-02-19 | — | — | EP | disclosed |