⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25357393 | 0.83 | CA2 (0.33) | — | |
| SCHEMBL11029954 | 0.81 | CA2 (0.32) | — | |
| SCHEMBL7211876 | 0.81 | CA2 (0.32) | — | |
| SCHEMBL8519026 | 0.80 | CA12 (0.31) | — | |
| SCHEMBL8608172 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL28477276 | 0.78 | — | — | |
| SCHEMBL28444160 | 0.78 | — | — | |
| SCHEMBL490836 | 0.78 | — | — | |
| SCHEMBL27831017 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL9784969 | 0.78 | TSHR (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114025766-A | Oxathiazine compounds for inhibiting GAPDH | 盖斯特里希医药公司 | 2022-02-08 | — | — | CN | claimed |
| CN-114025766-B | Oxathiazine compounds for inhibition of GAPDH | 盖斯特里希医药公司 | 2024-09-10 | — | — | CN | disclosed |
| CN-107260564-A | The blend of O acyl isethinates and N acyl amino acid surfactants | 银河界面活性剂有限责任公司 | 2017-10-20 | — | — | CN | disclosed |
| CN-104837477-B | Blends of O-acyl isethionates and N-acyl amino acid surfactants | 银河界面活性剂有限责任公司 | 2017-06-20 | — | — | CN | disclosed |
| CN-104837477-A | Blends of O-acyl isethionates and N-acyl amino acid surfactants | GALAXY SURFACTANTS LTD | 2015-08-12 | — | — | CN | disclosed |