⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13165483 | 0.82 | KMT2A (0.39) | — | |
| SCHEMBL22207701 | 0.76 | KMT2A (0.33) | — | |
| SCHEMBL22338695 | 0.68 | RAB9A (0.33) | — | |
| SCHEMBL25745165 | 0.68 | CA12 (0.42) | — | |
| SCHEMBL25745208 | 0.68 | KMT2A (0.33) | — | |
| SCHEMBL25745097 | 0.68 | KMT2A (0.33) | — | |
| SCHEMBL25745163 | 0.68 | KMT2A (0.33) | — | |
| SCHEMBL25745155 | 0.66 | CA9 (0.46) | — | |
| SCHEMBL25745153 | 0.64 | IKBKB (0.32) | — | |
| SCHEMBL24770451 | 0.64 | HIF1A (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11702422-B2 | Imidazopyridazines as modulators of IL-17 | JANSSEN PHARMACEUTICA NV (BE) | 2023-07-18 | — | — | US | disclosed |