⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17485484 | 0.79 | DRD4 (0.33) | — | |
| SCHEMBL13563261 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL13563219 | 0.73 | KDM1A (0.47) | — | |
| SCHEMBL13563221 | 0.70 | DPP4 (0.40) | — | |
| SCHEMBL19080439 | 0.66 | SLC6A9 (0.37) | — | |
| SCHEMBL19080440 | 0.66 | CDK1 (0.32) | — | |
| SCHEMBL18374881 | 0.65 | HRH3 (0.32) | — | |
| SCHEMBL25045780 | 0.64 | LMNA (0.36) | — | |
| SCHEMBL23529940 | 0.63 | CCR1 (0.37) | — | |
| SCHEMBL19504664 | 0.62 | HTT (0.36) | — |
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-2021202796-A1 | PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2021-10-07 | — | — | WO | disclosed |