⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6729075 | 0.92 | — | — | |
| SCHEMBL6728998 | 0.83 | — | — | |
| SCHEMBL1170826 | 0.79 | — | — | |
| SCHEMBL27809378 | 0.78 | CYP1A2 (0.54) | — | |
| SCHEMBL9086 | 0.76 | — | — | |
| SCHEMBL9720 | 0.76 | — | — | |
| SCHEMBL1308391 | 0.76 | — | — | |
| SCHEMBL1556234 | 0.74 | — | — | |
| SCHEMBL6725164 | 0.74 | — | — | |
| SCHEMBL1415148 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040097728-A1 | Method for producing anellated tetrahydro-{1h}-triazoles | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |
| US-6737544-B1 | HEATING ABOVE MELTING POINT | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-18 | — | — | US | disclosed |
| US-6639070-B1 | 4-substituted 1,3,4-oxadiazines; herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-28 | — | — | US | disclosed |
| US-6313070-B1 | MIXTURE OF ANIONIC AND NONIONIC SURFACTANTS, THIXOTROPIC ADDITIVE, WATER, OTHER HERBICIDES, OTHER AUXILIARIES | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-06 | — | — | US | disclosed |
| US-6150303-A | Substituted 3-phenylisoxazolines | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-21 | — | — | US | disclosed |
| CN-1189824-A | 1-amino-3-benzyluracils | BASF AG (DE) | 1998-08-05 | — | — | CN | disclosed |