⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28582 | 0.97 | — | — | |
| Water SCHEMBL27528266 | 0.97 | — | — | |
| Ethane SCHEMBL27692735 | 0.93 | — | — | |
| Fluoride SCHEMBL27793320 | 0.93 | — | — | |
| SCHEMBL27730296 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL5209454 | 0.93 | — | — | |
| SCHEMBL38660658 | 0.93 | — | — | |
| SCHEMBL4163984 | 0.93 | TSHR (0.93) | — | |
| Hydrochloric Acid SCHEMBL27630888 | 0.93 | — | — | |
| SCHEMBL5031595 | 0.93 | TSHR (0.93) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106083652-B | A kind of synthetic method of the cyanogen dimethyl-parabenzoquinone of 2,3,5,6 tetrafluoro 7,7 ', 8,8 ' four | 阜阳欣奕华材料科技有限公司 | 2017-11-21 | — | — | CN | claimed |
| CN-106083652-A | A kind of synthetic method of 2,3,5,6 tetrafluoro 7,7 ', 8,8 ' four cyanogen dimethyl-parabenzoquinone | 阜阳欣奕华材料科技有限公司 | 2016-11-09 | — | — | CN | claimed |
| CN-106083652-B | A kind of synthetic method of the cyanogen dimethyl-parabenzoquinone of 2,3,5,6 tetrafluoro 7,7 ', 8,8 ' four | 阜阳欣奕华材料科技有限公司 | 2017-11-21 | — | — | CN | disclosed |
| CN-106083652-A | A kind of synthetic method of 2,3,5,6 tetrafluoro 7,7 ', 8,8 ' four cyanogen dimethyl-parabenzoquinone | 阜阳欣奕华材料科技有限公司 | 2016-11-09 | — | — | CN | disclosed |