⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11261982 | 0.81 | — | — | |
| SCHEMBL8395185 | 0.77 | — | — | |
| SCHEMBL8378920 | 0.77 | — | — | |
| SCHEMBL8378924 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL102409 | 0.77 | — | — | |
| SCHEMBL4392151 | 0.75 | — | — | |
| SCHEMBL20609984 | 0.75 | — | — | |
| SCHEMBL19312222 | 0.74 | — | — | |
| SCHEMBL598372 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL9016362 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0723574-B1 | PROCESS FOR DETECTING MARKED MINERAL OILS | BASF AG (DE) | 1999-06-02 | — | — | EP | disclosed |
| EP-0764291-B1 | ELECTROPHOTOGRAPHIC TONER | BASF AG (DE) | 1998-01-07 | — | — | EP | disclosed |
| EP-0764291-A1 | ELECTROPHOTOGRAPHIC TONER | BASF AKTIENGESELLSCHAFT (DE) | 1997-03-26 | — | — | EP | disclosed |
| EP-0723574-A1 | PROCESS FOR DETECTING MARKED MINERAL OILS AND NEW AZO DYES | BASF AKTIENGESELLSCHAFT (DE) | 1996-07-31 | — | — | EP | disclosed |
| US-5487770-A | DETECTING AZO DYE MARKED MINERAL OILS BY TREATING WITH EXTRACTANT CONTAINING WATER, SOLVENT, BASE TO TRANSFER DYE INTO AQUEOUS PHASE | BASF AKTIENGESELLSCHAFT (DE) | 1996-01-30 | — | — | US | disclosed |
| WO-1995034846-A1 | ELECTROPHOTOGRAPHIC TONER | BASF AKTIENGESELLSCHAFT (DE) | 1995-12-21 | — | — | WO | disclosed |
| WO-1995010581-A1 | PROCESS FOR DETECTING MARKED MINERAL OILS AND NEW AZO DYES | BASF AKTIENGESELLSCHAFT (DE) | 1995-04-20 | — | — | WO | disclosed |