⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2017295 | 0.88 | TSHR (0.56) | — | |
| SCHEMBL11589496 | 0.87 | TSHR (0.50) | — | |
| SCHEMBL1836 | 0.87 | — | — | |
| Alcohol SCHEMBL462789 | 0.84 | — | — | |
| Propene SCHEMBL28139856 | 0.84 | — | — | |
| Alcohol SCHEMBL3470536 | 0.84 | TSHR (0.50) | — | |
| SCHEMBL9540540 | 0.84 | TSHR (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL679855 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL3741978 | 0.83 | — | — | |
| SCHEMBL30578387 | 0.83 | — | — |
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-110139890-A | Ethylene-vinyl alcohol copolymer composition pellet and method for producing ethylene-vinyl alcohol copolymer composition pellet | 三菱化学株式会社 | 2019-08-16 | — | — | CN | disclosed |
| CN-110050017-A | Ethylene-vinyl alcohol copolymer composition pellet, and method for producing ethylene-vinyl alcohol copolymer composition pellet | 三菱化学株式会社 | 2019-07-23 | — | — | CN | disclosed |
| CN-105793346-B | Cleaning agent and use its cleaning method | 日本合成化学工业株式会社 | 2018-09-11 | — | — | CN | disclosed |
| CN-107107435-A | Cleaning agent | 日本合成化学工业株式会社 | 2017-08-29 | — | — | CN | disclosed |
| CN-105793346-A | PURGING AGENT AND PURGING METHOD USING SAME | 日本合成化学工业株式会社 | 2016-07-20 | — | — | CN | disclosed |