⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL708361 | 0.74 | — | — | |
| SCHEMBL4910 | 0.64 | — | — | |
| SCHEMBL1059053 | 0.64 | — | — | |
| SCHEMBL561897 | 0.57 | — | — | |
| SCHEMBL1042486 | 0.56 | — | — | |
| Water SCHEMBL8875322 | 0.53 | — | — | |
| SCHEMBL3069033 | 0.50 | — | — | |
| Water SCHEMBL490048 | 0.45 | — | — | |
| Water SCHEMBL73784 | 0.45 | — | — | |
| Water SCHEMBL19717768 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6472349-B1 | Pyridine-2,3-dicarboxylic acid diamides | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-29 | — | — | US | disclosed |
| CN-1244865-A | Substituted pyrazole-3-yl benzazoles | BASF AK (DE) | 2000-02-16 | — | — | CN | disclosed |