⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8976969 | 0.73 | — | — | |
| SCHEMBL8977073 | 0.70 | MGLL (0.33) | — | |
| SCHEMBL29087965 | 0.67 | — | — | |
| SCHEMBL18638076 | 0.67 | — | — | |
| SCHEMBL2804349 | 0.67 | — | — | |
| SCHEMBL17866567 | 0.67 | — | — | |
| SCHEMBL9288913 | 0.55 | — | — | |
| SCHEMBL78337 | 0.53 | MGLL (0.33) | — | |
| SCHEMBL514846 | 0.53 | MGLL (0.33) | — | |
| SCHEMBL515359 | 0.53 | MGLL (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2346815-B1 | METHOD FOR PRODUCING COMPOUNDS INCLUDING NITRILE FUNCTIONS | INVISTA Technologies S à r l (CH) | 2016-04-20 | — | — | EP | claimed |
| US-20110288327-A1 | PROCESS FOR THE MANUFACTURE OF COMPOUNDS COMPRISING NITRILE FUNCTIONAL GROUPS | RHODIA OPERATIONS (FR) | 2011-11-24 | — | — | US | claimed |
| CN-116655674-B | Method for synthesizing high-abundance boron 10 isotope biboronate | 中国科学院兰州化学物理研究所 | 2024-04-16 | — | — | CN | disclosed |
| CN-116655674-A | Method for synthesizing high-abundance boron 10 isotope biboronate | 中国科学院兰州化学物理研究所 | 2023-08-29 | — | — | CN | disclosed |
| EP-2346815-B1 | METHOD FOR PRODUCING COMPOUNDS INCLUDING NITRILE FUNCTIONS | INVISTA Technologies S à r l (CH) | 2016-04-20 | — | — | EP | disclosed |