⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21016183 | 0.90 | — | — | |
| SCHEMBL12784547 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL23341002 | 0.76 | GSR (0.34) | — | |
| SCHEMBL21015978 | 0.76 | ADH1B (0.35) | — | |
| SCHEMBL13961516 | 0.76 | CA12 (0.45) | — | |
| SCHEMBL12784557 | 0.74 | — | — | |
| SCHEMBL19335061 | 0.72 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL5557441 | 0.72 | — | — | |
| SCHEMBL19050971 | 0.72 | NPSR1 (0.32) | — | |
| SCHEMBL20215790 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0778832-B1 | PROCESS FOR PRODUCING QUATERNARY GLYCINE NITRILES | BASF AG (DE) | 1998-11-11 | — | — | EP | disclosed |
| US-5763639-A | REACTION OF AMINE WITH (DI)ALDEHYDE, HYDROCYANIC ACID OR ALKALI METAL CYANIDE, QUATERNIZATION WITH ALKYLATING AGENT | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-09 | — | — | US | disclosed |
| EP-0778832-A1 | PROCESS FOR PRODUCING QUATERNARY GLYCINE NITRILES | BASF AKTIENGESELLSCHAFT (DE) | 1997-06-18 | — | — | EP | disclosed |
| WO-1996007650-A1 | PROCESS FOR PRODUCING QUATERNARY GLYCINE NITRILES | BASF AKTIENGESELLSCHAFT (DE) | 1996-03-14 | — | — | WO | disclosed |
| US-4113764-A | Manufacture of N-substituted glycinonitriles | BASF AKTIENGESELLSCHAFT (DE) | 1978-09-12 | — | — | US | disclosed |
| US-4022815-A | Manufacture of substituted glycinonitriles | BASF AKTIENGESELLSCHAFT (DT) | 1977-05-10 | — | — | US | disclosed |