⚠ 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 | |
|---|---|---|---|---|
| Methanesulfonic Acid Ethyl Ester SCHEMBL2296 | 0.97 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL5533648 | 0.97 | CA1 (0.53) | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL28142893 | 0.93 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL28241242 | 0.93 | CA1 (0.50) | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL31396011 | 0.93 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL5666892 | 0.93 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL28179907 | 0.93 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL3338728 | 0.90 | USP2 (0.48) | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL2461930 | 0.88 | TSHR (0.46) | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL27450293 | 0.88 | CA1 (0.46) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110382553-A | Amphiphilic polysaccharide derivates and composition comprising it | 纳幕尔杜邦公司 | 2019-10-25 | — | — | CN | disclosed |
| CN-106164054-B | Phenazine mediators | 豪夫迈·罗氏有限公司 | 2019-05-07 | — | — | CN | disclosed |
| CN-109651396-A | The alkylation of fluoroalkyl sulfonic acid Arrcostab | 诺华股份有限公司 | 2019-04-19 | — | — | CN | disclosed |
| CN-105324386-B | Alkylation of alkyl fluoroalkylsulfonates | 诺华股份有限公司 | 2019-02-19 | — | — | CN | disclosed |
| CN-107540599-A | Aminoidan compound and its purposes for treating pain | 阿萨纳生物科技有限责任公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-103547566-B | Aminoindane compounds and their use to treat pain | 阿萨纳生物科技有限责任公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-106164054-A | Phenazine mediators | 豪夫迈·罗氏有限公司 | 2016-11-23 | — | — | CN | disclosed |