⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3662203 | 0.84 | MAPT (0.37) | — | |
| SCHEMBL16341187 | 0.84 | MAPT (0.37) | — | |
| SCHEMBL8924 | 0.84 | MAPT (0.37) | — | |
| SCHEMBL29804885 | 0.84 | MAPT (0.37) | — | |
| Bicarbonate SCHEMBL28655831 | 0.82 | MEN1 (0.33) | — | |
| Formaldehyde SCHEMBL27671091 | 0.82 | MAPT (0.33) | — | |
| Methyl Alcohol SCHEMBL28243297 | 0.82 | MAPT (0.33) | — | |
| Hypochlorous Acid SCHEMBL28601813 | 0.82 | MAPT (0.33) | — | |
| SCHEMBL7679307 | 0.82 | MAPT (0.36) | — | |
| SCHEMBL7679297 | 0.82 | MAPT (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110770213-B | Sulfurized benzoxazines for use in the synthesis of polybenzoxazines | 米其林集团总公司 | 2023-04-11 | — | — | CN | disclosed |
| CN-110770213-A | Sulfurized benzoxazines for use in the synthesis of polybenzoxazines | 米其林集团总公司 | 2020-02-07 | — | — | CN | disclosed |