⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18631405 | 0.78 | GRIA1 (0.31) | — | |
| SCHEMBL17007 | 0.75 | — | — | |
| SCHEMBL4127744 | 0.75 | GRIA1 (0.31) | — | |
| SCHEMBL15413111 | 0.75 | — | — | |
| Fluoride SCHEMBL28027752 | 0.73 | — | — | |
| SCHEMBL2020877 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL2694408 | 0.73 | — | — | |
| SCHEMBL18631298 | 0.72 | — | — | |
| SCHEMBL24074960 | 0.71 | — | — | |
| SCHEMBL21260095 | 0.71 | — | — |
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-105622469-A | Preparation method of alkyl sulfonyl chloride containing nitrogen and fluorine | HANDE SCIENCES CO LTD | 2016-06-01 | — | — | CN | claimed |
| CN-111517902-B | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 清华大学 | 2022-06-14 | — | — | CN | disclosed |
| CN-111517902-A | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 清华大学 | 2020-08-11 | — | — | CN | disclosed |
| WO-2020155595-A1 | AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR | 清华大学 | 2020-08-06 | — | — | WO | disclosed |
| CN-105622469-A | Preparation method of alkyl sulfonyl chloride containing nitrogen and fluorine | HANDE SCIENCES CO LTD | 2016-06-01 | — | — | CN | disclosed |