⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13351056 | 1.00 | — | — | |
| SCHEMBL11156551 | 0.81 | ADH1B (0.62) | — | |
| SCHEMBL7875571 | 0.78 | — | — | |
| SCHEMBL13350902 | 0.76 | — | — | |
| SCHEMBL765875 | 0.75 | — | — | |
| SCHEMBL269862 | 0.75 | — | — | |
| SCHEMBL177669 | 0.75 | — | — | |
| SCHEMBL1911423 | 0.75 | — | — | |
| SCHEMBL18583412 | 0.71 | ADH1B (0.50) | — | |
| SCHEMBL11459757 | 0.71 | — | — |
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-6740774-B1 | REACTING CARBOXAMIDE WITH GLYOXAL MONOACETAL DERIVATIVE | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-25 | — | — | US | disclosed |
| EP-1078916-B1 | Process for the preparation of N-acylaminoacid esters and N-acylaminoacetals | BASF AG (DE) | 2002-12-11 | — | — | EP | disclosed |
| EP-1078916-A1 | Process for the preparation of N-acylaminoacid esters and N-acylaminoacetals | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-28 | — | — | EP | disclosed |