⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10811660 | 0.84 | — | — | |
| SCHEMBL8967699 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL10808496 | 0.74 | — | — | |
| SCHEMBL10930043 | 0.74 | MVD (0.31) | — | |
| Hydrochloric Acid SCHEMBL11215879 | 0.74 | MEN1 (0.32) | — | |
| SCHEMBL9627216 | 0.74 | — | — | |
| SCHEMBL11150755 | 0.72 | — | — | |
| SCHEMBL11290146 | 0.71 | MVD (0.33) | — | |
| SCHEMBL11296378 | 0.71 | MVD (0.30) | — | |
| SCHEMBL10809670 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4545804-A | HERBICIDES | MONSANTO COMPANY (US) | 1985-10-08 | — | — | US | disclosed |