⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28503894 | 0.84 | — | — | |
| SCHEMBL28874544 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL28874524 | 0.76 | CRHBP (0.31) | — | |
| SCHEMBL27718041 | 0.75 | POLB (0.32) | — | |
| SCHEMBL28874419 | 0.74 | ABCC8 (0.30) | — | |
| SCHEMBL28874378 | 0.74 | HTT (0.30) | — | |
| SCHEMBL5152974 | 0.74 | HTT (0.30) | — | |
| SCHEMBL28719927 | 0.73 | — | — | |
| SCHEMBL28747786 | 0.72 | CA1 (0.31) | — | |
| SCHEMBL28957541 | 0.70 | POLB (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115124485-B | Sulfoxide-containing benzoxazole derivative, and preparation method and application thereof | 中国医学科学院药物研究所 | 2023-12-15 | — | — | CN | disclosed |
| CN-115124485-A | Benzoxazole derivatives containing sulfoxide as well as preparation method and application thereof | 中国医学科学院药物研究所 | 2022-09-30 | — | — | CN | disclosed |