⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL82321 | 0.94 | — | — | |
| SCHEMBL7414350 | 0.94 | — | — | |
| Water SCHEMBL27996335 | 0.89 | TSHR (0.31) | — | |
| SCHEMBL28376013 | 0.89 | — | — | |
| SCHEMBL834114 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL27662755 | 0.89 | — | — | |
| SCHEMBL28348968 | 0.89 | — | — | |
| SCHEMBL30093000 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL27717534 | 0.89 | — | — | |
| Dimethylamine SCHEMBL6419423 | 0.80 | — | — |
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-111135793-A | Renewable efficient deep desulfurization activated carbon and preparation method and application thereof | 江苏竹海活性炭有限公司 | 2020-05-12 | — | — | CN | disclosed |
| CN-104807895-B | The analysis method of sulphur content cloth, the sulfide qualitative analysis database utilized and application thereof in a kind of methyl tert-butyl ether product | 中国石油化工股份有限公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-108693256-A | The analysis method of sulphur content cloth and a kind of sulfide qualitative data library in a kind of liquefied petroleum gas | 中国石油化工股份有限公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-107782806-A | The analysis method and the sulfide qualitative analysis database that utilizes that oxide morphology is distributed in light gasoline fraction after a kind of alkali density | 中国石油化工股份有限公司 | 2018-03-09 | — | — | CN | disclosed |
| CN-104807895-A | Method for analyzing distribution of sulfur in methyl tert-butyl ether, sulfide qualitative analysis database, and use of database | CHINA PETROLEUM & CHEMICAL | 2015-07-29 | — | — | CN | disclosed |