⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22365693 | 0.84 | CASP2 (0.45) | — | |
| SCHEMBL17676094 | 0.84 | EPHX1 (0.41) | — | |
| SCHEMBL13556401 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL13292792 | 0.80 | — | — | |
| SCHEMBL4438063 | 0.80 | — | — | |
| SCHEMBL1276262 | 0.73 | ALDH1A1 (0.56) | — | |
| SCHEMBL16002316 | 0.73 | KMT2A (0.41) | — | |
| SCHEMBL3075456 | 0.71 | — | — | |
| SCHEMBL687718 | 0.71 | — | — | |
| SCHEMBL2458781 | 0.71 | — | — |
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-3376870-B1 | PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF | AERIE PHARMACEUTICALS INC (US) | 2021-08-11 | — | — | EP | disclosed |