⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12351123 | 0.69 | — | — | |
| SCHEMBL21649455 | 0.69 | — | — | |
| SCHEMBL13001999 | 0.69 | — | — | |
| SCHEMBL14514571 | 0.69 | — | — | |
| SCHEMBL23893049 | 0.63 | — | — | |
| SCHEMBL9911181 | 0.63 | — | — | |
| SCHEMBL24910399 | 0.60 | — | — | |
| SCHEMBL6351490 | 0.59 | — | — | |
| SCHEMBL380026 | 0.59 | — | — | |
| Iodide SCHEMBL10672700 | 0.58 | TDP1 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020020777-A1 | USE OF SUBSTITUTED 2-THIAZOLINES AS NITRIFICATION INHIBITORS | BASF SE (DE) | 2020-01-30 | — | — | WO | disclosed |