⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7105090 | 0.85 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL13640440 | 0.80 | CA1 (0.45) | — | |
| SCHEMBL6740074 | 0.80 | — | — | |
| SCHEMBL6740344 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL6742886 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL7707505 | 0.78 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL15314124 | 0.78 | — | — | |
| SCHEMBL11375638 | 0.78 | — | — | |
| SCHEMBL184608 | 0.78 | — | — | |
| SCHEMBL6744296 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040043903-A1 | Herbicides; applying to plants | BASF AKTIENGESELLSCHAFT (DE) | 2004-03-04 | — | — | US | disclosed |
| US-20040023807-A1 | 3-Arylisothiazoles and their use as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2004-02-05 | — | — | US | disclosed |
| US-20030216257-A1 | 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2003-11-20 | — | — | US | disclosed |