⚠ 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 | 0.83 | — | — | |
| SCHEMBL534167 | 0.65 | — | — | |
| SCHEMBL9869265 | 0.65 | — | — | |
| SCHEMBL921753 | 0.62 | — | — | |
| SCHEMBL9479799 | 0.62 | PDE10A (0.32) | — | |
| SCHEMBL14272684 | 0.61 | MCHR1 (0.30) | — | |
| SCHEMBL4919846 | 0.60 | — | — | |
| SCHEMBL4922788 | 0.58 | — | — | |
| SCHEMBL11554089 | 0.58 | RAB9A (0.51) | — | |
| SCHEMBL533277 | 0.58 | — | — |
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 |