⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11927964 | 0.79 | MEN1 (0.35) | — | |
| SCHEMBL102750 | 0.75 | ESR2 (0.34) | — | |
| SCHEMBL6913975 | 0.74 | SMYD3 (0.32) | — | |
| SCHEMBL888643 | 0.73 | — | — | |
| SCHEMBL10328361 | 0.73 | FFAR3 (0.48) | — | |
| SCHEMBL18212652 | 0.72 | LMNA (0.38) | — | |
| SCHEMBL9249685 | 0.72 | CYP1A2 (0.35) | — | |
| SCHEMBL102094 | 0.70 | IDO1 (0.33) | — | |
| SCHEMBL12363926 | 0.69 | ANPEP (0.39) | — | |
| SCHEMBL12363899 | 0.69 | ANPEP (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2729142-B1 | METHOD OF TREATING ATHEROSCLEROSIS IN HIGH TRIGLYCERIDE SUBJECTS | NOVARTIS AG (CH) | 2018-05-09 | — | — | EP | disclosed |