⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8890879 | 0.84 | DPP4 (0.37) | — | |
| SCHEMBL8901366 | 0.81 | SCN1A (0.42) | — | |
| SCHEMBL8890858 | 0.81 | SLC6A2 (0.36) | — | |
| SCHEMBL8891679 | 0.80 | NR3C1 (0.36) | — | |
| SCHEMBL8815651 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL8606109 | 0.74 | — | — | |
| SCHEMBL8900220 | 0.73 | HSD11B1 (0.36) | — | |
| SCHEMBL8043259 | 0.72 | — | — | |
| SCHEMBL8814644 | 0.72 | MAPT (0.33) | — | |
| SCHEMBL8609169 | 0.71 | MGLL (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-1997028136-A1 | BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-08-07 | — | — | WO | disclosed |