⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18574530 | 0.87 | — | — | |
| SCHEMBL12819009 | 0.83 | LPAR3 (0.44) | — | |
| SCHEMBL11590408 | 0.78 | — | — | |
| SCHEMBL8407355 | 0.76 | ODC1 (0.36) | — | |
| SCHEMBL26188001 | 0.76 | — | — | |
| SCHEMBL14368215 | 0.75 | — | — | |
| SCHEMBL28016994 | 0.75 | MEN1 (0.31) | — | |
| Water SCHEMBL27942868 | 0.74 | ITPR3 (0.35) | — | |
| SCHEMBL3501699 | 0.74 | — | — | |
| SCHEMBL28535258 | 0.73 | GABBR2 (0.31) | — |
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-105770878-A | Vaccine Nanotechnology | 麻省理工学院 | 2016-07-20 | — | — | CN | disclosed |