⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11105022 | 0.98 | — | — | |
| SCHEMBL6721961 | 0.81 | HDAC1 (0.36) | — | |
| SCHEMBL14955490 | 0.79 | — | — | |
| SCHEMBL20876138 | 0.77 | — | — | |
| SCHEMBL6718216 | 0.77 | — | — | |
| SCHEMBL27360518 | 0.75 | — | — | |
| SCHEMBL18222445 | 0.69 | — | — | |
| SCHEMBL8367880 | 0.67 | SLC22A6 (0.33) | — | |
| SCHEMBL6724762 | 0.67 | — | — | |
| SCHEMBL29093954 | 0.65 | CDC25A (0.36) | — |
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 4 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-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 |