⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23197819 | 0.79 | MEN1 (0.33) | — | |
| SCHEMBL23197871 | 0.73 | KMT2A (0.43) | — | |
| SCHEMBL23197786 | 0.66 | KDR (0.36) | — | |
| SCHEMBL23197862 | 0.64 | KDM4E (0.34) | — | |
| SCHEMBL23197816 | 0.64 | GRIN2D (0.38) | — | |
| SCHEMBL23197817 | 0.64 | NOS3 (0.33) | — | |
| SCHEMBL23198512 | 0.62 | P2RX1 (0.40) | — | |
| SCHEMBL23197769 | 0.59 | TP53 (0.49) | — | |
| SCHEMBL23198944 | 0.59 | TP53 (0.46) | — | |
| SCHEMBL23198132 | 0.59 | GRIN2D (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-2021064077-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-04-08 | — | — | WO | disclosed |