⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6437815 | 0.85 | ADH1B (0.32) | — | |
| SCHEMBL79570 | 0.77 | — | — | |
| SCHEMBL12216598 | 0.77 | — | — | |
| SCHEMBL12317549 | 0.76 | — | — | |
| SCHEMBL2154299 | 0.76 | — | — | |
| SCHEMBL14831174 | 0.73 | — | — | |
| Isobutyraldehyde SCHEMBL9511592 | 0.71 | — | — | |
| Methyl Alcohol SCHEMBL8058446 | 0.71 | — | — | |
| SCHEMBL13176598 | 0.71 | — | — | |
| SCHEMBL13176943 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3820846-A1 | COMPOSITION FOR INHIBITING MONOMER POLYMERIZATION COMPRISING A NITROXIDE INHIBITOR, A QUINONE METHIDE RETARDER AND AN AMINE STABILIZER | Ecolab USA, Inc. (US) | 2021-05-19 | — | — | EP | disclosed |
| US-4164511-A | Manufacture of N-arylglycinonitriles | BASF AKTIENGESELLSCHAFT (DE) | 1979-08-14 | — | — | US | disclosed |