⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17841389 | 0.91 | LPL (0.31) | — | |
| SCHEMBL1114281 | 0.78 | RXFP1 (0.33) | — | |
| Formamide SCHEMBL28952177 | 0.73 | CA1 (0.34) | — | |
| Bicarbonate SCHEMBL13674697 | 0.72 | F2 (0.33) | — | |
| SCHEMBL29421542 | 0.72 | CYP1A2 (0.37) | — | |
| SCHEMBL21236343 | 0.72 | CYP1A2 (0.37) | — | |
| SCHEMBL13674698 | 0.71 | PDGFRB (0.33) | — | |
| SCHEMBL22445435 | 0.71 | AAK1 (0.32) | — | |
| SCHEMBL22445453 | 0.71 | AAK1 (0.32) | — | |
| SCHEMBL22659233 | 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 |
|---|---|---|---|---|---|---|---|
| CN-112243439-A | Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof | 百济神州有限公司 | 2021-01-19 | — | — | CN | disclosed |