⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22992121 | 0.90 | KMT2A (0.36) | — | |
| SCHEMBL22345626 | 0.89 | FASN (0.31) | — | |
| SCHEMBL24325236 | 0.87 | — | — | |
| SCHEMBL24325242 | 0.87 | GRM5 (0.32) | — | |
| SCHEMBL24325234 | 0.87 | — | — | |
| SCHEMBL24324818 | 0.86 | GRIN1 (0.31) | — | |
| SCHEMBL22345609 | 0.86 | NAMPT (0.34) | — | |
| SCHEMBL24324688 | 0.86 | CYP3A4 (0.32) | — | |
| SCHEMBL24324811 | 0.86 | MAPT (0.37) | — | |
| SCHEMBL24324947 | 0.86 | BTK (0.31) | — |
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-20220117228-A1 | SUBSTITUTED AZASPIRO-CYCLES AS HERBICIDES | SYNGENTA CROP PROTECTION AG (CH) | 2022-04-21 | — | — | US | disclosed |