⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3745844 | 0.68 | — | — | |
| SCHEMBL465578 | 0.68 | — | — | |
| SCHEMBL832904 | 0.67 | — | — | |
| Carbon Dioxide SCHEMBL4792172 | 0.65 | — | — | |
| Norflurane SCHEMBL26664492 | 0.65 | — | — | |
| SCHEMBL28415497 | 0.65 | — | — | |
| SCHEMBL1186983 | 0.65 | — | — | |
| Dichlorodifluoromethane SCHEMBL2997893 | 0.63 | — | — | |
| SCHEMBL344851 | 0.63 | — | — | |
| SCHEMBL201981 | 0.63 | — | — |
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-6008160-A | Substituted 1-amino-3-phenyluracil derivatives, their preparation and their use as herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1999-12-28 | — | — | US | disclosed |