⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12071820 | 0.78 | — | — | |
| SCHEMBL19871625 | 0.58 | CYP3A4 (0.35) | — | |
| SCHEMBL12425151 | 0.55 | — | — | |
| SCHEMBL1042994 | 0.45 | — | — | |
| SCHEMBL27981 | 0.43 | — | — | |
| Hydrazine SCHEMBL4770619 | 0.43 | — | — | |
| SCHEMBL320609 | 0.43 | MEN1 (1.00) | — | |
| SCHEMBL5058095 | 0.43 | — | — | |
| SCHEMBL23451928 | 0.41 | — | — | |
| SCHEMBL2244326 | 0.41 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6673890-B1 | DETERGENTS, DISPERSANTS | BASF AKTIENGESELLSCHAFT (DE) | 2004-01-06 | — | — | US | disclosed |
| EP-1198492-B1 | ZWITTERIONIC POLYAMINES AND A PROCESS FOR THEIR PRODUCTION | BASF AG (DE) | 2003-10-08 | — | — | EP | disclosed |