⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10753700 | 0.79 | GSK3B (0.33) | — | |
| SCHEMBL8502881 | 0.79 | GSK3B (0.33) | — | |
| SCHEMBL27600470 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL8520258 | 0.78 | — | — | |
| SCHEMBL1318083 | 0.78 | — | — | |
| SCHEMBL5799134 | 0.77 | TRPA1 (0.38) | — | |
| SCHEMBL8408404 | 0.76 | — | — | |
| SCHEMBL15422290 | 0.74 | EGLN1 (0.41) | — | |
| SCHEMBL15422291 | 0.74 | EGLN1 (0.41) | — | |
| SCHEMBL4058682 | 0.74 | GAA (0.42) | — |
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-5817682-A | OXALOXIMES OF PYRAZOLES AND ISOXAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-06 | — | — | US | disclosed |
| US-5736566-A | FUNGICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-07 | — | — | US | disclosed |
| US-5672616-A | FUNGICIDE | BASF AKTIENGESELLSCHAFT (DE) | 1997-09-30 | — | — | US | disclosed |
| US-5663185-A | FUNGICIDES, INSECTICIDES, NEMATOCIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-09-02 | — | — | US | disclosed |