⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11988643 | 0.79 | — | — | |
| SCHEMBL21301689 | 0.77 | — | — | |
| SCHEMBL11572522 | 0.77 | — | — | |
| SCHEMBL5148714 | 0.76 | — | — | |
| SCHEMBL7081593 | 0.76 | — | — | |
| SCHEMBL21846951 | 0.75 | — | — | |
| SCHEMBL28833114 | 0.73 | — | — | |
| SCHEMBL4811397 | 0.72 | — | — | |
| SCHEMBL6290138 | 0.72 | — | — | |
| SCHEMBL28309765 | 0.72 | CRBN (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2005068106-A | METHOD FOR PRODUCTION AND PURIFICATION OF 1,3-DI(METH)ALLYLUREA | DAISO CO LTD | 2005-03-17 | — | — | JP | disclosed |