⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8568291 | 0.79 | — | — | |
| SCHEMBL2960180 | 0.75 | CYP2C19 (0.35) | — | |
| SCHEMBL9187830 | 0.75 | — | — | |
| SCHEMBL5082305 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL6443873 | 0.72 | — | — | |
| SCHEMBL11910309 | 0.71 | — | — | |
| SCHEMBL1865306 | 0.71 | — | — | |
| SCHEMBL7441831 | 0.71 | — | — | |
| SCHEMBL14354950 | 0.67 | — | — | |
| SCHEMBL11803472 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020039297-A1 | NOVEL COMPOUNDS AND THEIR USE IN PREPARATION OF ELAFIBRANOR AND PHARMACEUTICAL ACCEPTABLE SALTS THEREOF | MANKIND PHARMA LTD. (IN) | 2020-02-27 | — | — | WO | disclosed |