⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9240548 | 1.00 | — | — | |
| SCHEMBL9240668 | 0.69 | CTSC (0.31) | — | |
| SCHEMBL7558431 | 0.69 | POLB (0.32) | — | |
| SCHEMBL7558427 | 0.69 | POLB (0.32) | — | |
| SCHEMBL8307301 | 0.67 | CYP11B1 (0.31) | — | |
| SCHEMBL8813196 | 0.67 | CYP11B1 (0.40) | — | |
| SCHEMBL8754893 | 0.67 | TACR3 (0.31) | — | |
| SCHEMBL8673782 | 0.65 | CYP11B1 (0.37) | — | |
| SCHEMBL9241879 | 0.65 | CRACR2A (0.35) | — | |
| SCHEMBL9241917 | 0.65 | — | — |
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-1995025099-A1 | 2-CYANO-1,3-DIONE DERIVATIVES USEFUL AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD. (GB) | 1995-09-21 | — | — | WO | disclosed |