⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8309433 | 0.94 | — | — | |
| SCHEMBL8310774 | 0.87 | MEN1 (0.30) | — | |
| SCHEMBL8488169 | 0.76 | CES2 (0.34) | — | |
| SCHEMBL8310473 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL8310772 | 0.74 | CES2 (0.33) | — | |
| SCHEMBL8309467 | 0.72 | GAA (0.35) | — | |
| SCHEMBL8312126 | 0.71 | HPD (0.34) | — | |
| SCHEMBL6440073 | 0.70 | LMNA (0.31) | — | |
| SCHEMBL8309821 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL8311178 | 0.68 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999003856-A1 | 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1999-01-28 | — | — | WO | disclosed |