⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24704592 | 0.82 | TNIK (0.35) | — | |
| SCHEMBL24704591 | 0.81 | MAPK14 (0.32) | — | |
| SCHEMBL24704123 | 0.71 | HTT (0.34) | — | |
| SCHEMBL24704121 | 0.70 | CDK9 (0.41) | — | |
| SCHEMBL22862438 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL22862877 | 0.67 | SIGMAR1 (0.39) | — | |
| SCHEMBL24704416 | 0.65 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL22862777 | 0.63 | KDM4E (0.37) | — | |
| SCHEMBL24704593 | 0.60 | HCAR1 (0.31) | — | |
| SCHEMBL22862994 | 0.58 | KDM4E (0.37) | — |
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-2021002986-A2 | BAX INHIBITORS AND USES THEREOF | CASE WESTERN RESERVE UNIVERSITY (US) | 2021-01-07 | — | — | WO | disclosed |