⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21357443 | 0.83 | ACACB (0.40) | — | |
| SCHEMBL21361278 | 0.81 | GAA (0.34) | — | |
| SCHEMBL24426556 | 0.77 | — | — | |
| SCHEMBL24426524 | 0.67 | GRM5 (0.30) | — | |
| SCHEMBL21357809 | 0.67 | P2RX7 (0.32) | — | |
| SCHEMBL24426506 | 0.67 | — | — | |
| SCHEMBL21361309 | 0.65 | CYP2D6 (0.35) | — | |
| SCHEMBL21361288 | 0.65 | P2RX7 (0.33) | — | |
| SCHEMBL24426514 | 0.65 | — | — | |
| SCHEMBL24426591 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3765445-B1 | SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2023-08-30 | — | — | EP | disclosed |