⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15128893 | 0.71 | — | — | |
| SCHEMBL533350 | 0.67 | — | — | |
| SCHEMBL25834966 | 0.65 | — | — | |
| SCHEMBL1126504 | 0.65 | — | — | |
| SCHEMBL4606903 | 0.65 | — | — | |
| SCHEMBL29013789 | 0.63 | — | — | |
| SCHEMBL15309950 | 0.63 | TSHR (0.41) | — | |
| SCHEMBL5692423 | 0.63 | — | — | |
| SCHEMBL15310039 | 0.63 | TSHR (0.33) | — | |
| SCHEMBL18493499 | 0.63 | — | — |
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-109642255-A | NUCLEIC ACID SYNTHESIS AND SEQUENCING USING TETHERED NUCLEOSIDE TRIPHOSPHATES | 加利福尼亚大学董事会 | 2019-04-16 | — | — | CN | disclosed |
| CN-108069876-A | For the 3- aryl propine nitrile compounds of mercaptan mark | 斯特拉斯堡大学 | 2018-05-25 | — | — | CN | disclosed |
| CN-105474015-B | 3-arylpropinonanitrile compounds for thiol labeling | 斯特拉斯堡大学 | 2018-01-26 | — | — | CN | disclosed |
| CN-106922129-A | The method of conjugated polypeptide | 免疫医疗有限责任公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-105474015-A | 3-arylpropinonanitrile compounds for thiol labeling | UNIV STRASBOURG | 2016-04-06 | — | — | CN | disclosed |