⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9870489 | 0.68 | — | — | |
| SCHEMBL9870337 | 0.65 | — | — | |
| SCHEMBL533370 | 0.62 | — | — | |
| SCHEMBL12701857 | 0.59 | — | — | |
| SCHEMBL3303517 | 0.55 | — | — | |
| SCHEMBL24769981 | 0.55 | GAA (0.42) | — | |
| SCHEMBL1367047 | 0.55 | — | — | |
| SCHEMBL9869455 | 0.54 | — | — | |
| SCHEMBL9596061 | 0.54 | — | — | |
| SCHEMBL1686942 | 0.53 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5077401-A | Herbicides | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1991-12-31 | — | — | US | disclosed |
| US-4902335-A | Benzo-fused cyclic compounds | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1990-02-20 | — | — | US | disclosed |