⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28112016 | 0.89 | — | — | |
| SCHEMBL11230271 | 0.87 | — | — | |
| SCHEMBL27740402 | 0.87 | — | — | |
| SCHEMBL855716 | 0.87 | — | — | |
| SCHEMBL27948501 | 0.82 | — | — | |
| SCHEMBL25248720 | 0.75 | — | — | |
| SCHEMBL10336345 | 0.75 | — | — | |
| SCHEMBL11585279 | 0.75 | — | — | |
| Water SCHEMBL11587171 | 0.75 | — | — | |
| SCHEMBL6479560 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109429883-A | A kind of implantation methods of grape | 唐吉军 | 2019-03-08 | — | — | CN | disclosed |