⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18256605 | 0.77 | — | — | |
| SCHEMBL1034138 | 0.74 | SPHK1 (0.33) | — | |
| SCHEMBL10419840 | 0.72 | TDP1 (0.31) | — | |
| SCHEMBL1038492 | 0.72 | SPHK1 (0.36) | — | |
| SCHEMBL4374322 | 0.71 | — | — | |
| SCHEMBL11312167 | 0.71 | — | — | |
| SCHEMBL1404426 | 0.71 | — | — | |
| SCHEMBL362262 | 0.70 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL18256603 | 0.69 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL18256597 | 0.67 | KDM4E (0.38) | — |
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-110372625-B | Method for preparing 4-alkyl methyl-4-aryl-1,3-benzoxazine-2 (4H) -ketone by blue light irradiation | 常州大学 | 2022-11-01 | — | — | CN | disclosed |