⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL743262 | 0.98 | — | — | |
| Methylamine SCHEMBL8761530 | 0.93 | — | — | |
| Piperazine SCHEMBL28208895 | 0.93 | HRH4 (0.31) | — | |
| SCHEMBL1000740 | 0.92 | — | — | |
| SCHEMBL14974813 | 0.91 | — | — | |
| SCHEMBL9638785 | 0.91 | NISCH (0.32) | — | |
| SCHEMBL312465 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL27634057 | 0.84 | — | — | |
| Piperazine SCHEMBL27718655 | 0.81 | SLC18A3 (0.31) | — | |
| SCHEMBL5242459 | 0.78 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112625739-A | Method for preparing olefin by enzymatic fermentation of grass hydrocarbon through sublimation | 刘依依 | 2021-04-09 | — | — | CN | claimed |
| CN-110724569-A | Method for converting heavy hydrocarbon peptide isomerase dissociated coal tar into light coal tar | 沈阳中科腐蚀控制工程技术中心 | 2020-01-24 | — | — | CN | claimed |
| CN-110724714-A | Method for producing light diesel oil by fermenting biomass hydrocarbon to brew heavy hydrocarbon | 沈阳中科腐蚀控制工程技术中心 | 2020-01-24 | — | — | CN | claimed |
| CN-112625739-A | Method for preparing olefin by enzymatic fermentation of grass hydrocarbon through sublimation | 刘依依 | 2021-04-09 | — | — | CN | disclosed |
| CN-110724569-A | Method for converting heavy hydrocarbon peptide isomerase dissociated coal tar into light coal tar | 沈阳中科腐蚀控制工程技术中心 | 2020-01-24 | — | — | CN | disclosed |
| CN-110724569-A | Method for converting heavy hydrocarbon peptide isomerase dissociated coal tar into light coal tar | 沈阳中科腐蚀控制工程技术中心 | 2020-01-24 | — | — | CN | disclosed |
| CN-110724714-A | Method for producing light diesel oil by fermenting biomass hydrocarbon to brew heavy hydrocarbon | 沈阳中科腐蚀控制工程技术中心 | 2020-01-24 | — | — | CN | disclosed |
| CN-110724714-A | Method for producing light diesel oil by fermenting biomass hydrocarbon to brew heavy hydrocarbon | 沈阳中科腐蚀控制工程技术中心 | 2020-01-24 | — | — | CN | disclosed |