⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22736320 | 0.77 | GRM4 (0.32) | — | |
| SCHEMBL29567465 | 0.77 | GRM4 (0.32) | — | |
| SCHEMBL22735943 | 0.75 | — | — | |
| SCHEMBL29480651 | 0.68 | — | — | |
| SCHEMBL29567639 | 0.65 | GRM4 (0.32) | — | |
| SCHEMBL22736041 | 0.65 | GRM4 (0.32) | — | |
| SCHEMBL22735964 | 0.65 | GRM4 (0.32) | — | |
| SCHEMBL22736335 | 0.65 | JAK2 (0.31) | — | |
| SCHEMBL29480764 | 0.65 | GRM4 (0.32) | — | |
| SCHEMBL22736542 | 0.64 | GRM4 (0.33) | — |
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-2020240586-A1 | NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 | MANKIND PHARMA LTD. (IN) | 2020-12-03 | — | — | WO | disclosed |