⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1492862 | 0.85 | — | — | |
| SCHEMBL4210954 | 0.85 | — | — | |
| SCHEMBL15063110 | 0.72 | CYP2D6 (0.44) | — | |
| SCHEMBL15063109 | 0.72 | CYP2D6 (0.44) | — | |
| SCHEMBL1341103 | 0.68 | — | — | |
| SCHEMBL1341469 | 0.63 | MEN1 (0.38) | — | |
| SCHEMBL12127860 | 0.59 | CYP2D6 (0.42) | — | |
| SCHEMBL13844184 | 0.59 | CYP2D6 (0.42) | — | |
| SCHEMBL11326713 | 0.57 | — | — | |
| SCHEMBL1343560 | 0.57 | CYP2D6 (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8802609-B2 | Nitrile and amidoxime compounds and methods of preparation for semiconductor processing | EKC TECHNOLOGY INC | 2014-08-12 | — | — | US | disclosed |
| US-20130035272-A1 | NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION FOR SEMICONDUCTOR PROCESSING | EKC TECHNOLOGY INC. | 2013-02-07 | — | — | US | disclosed |
| US-20110065622-A1 | NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION FOR SEMICONDUCTOR PROCESSING | EKC TECHNOLOGY, INC. | 2011-03-17 | — | — | US | disclosed |