⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28561115 | 0.74 | — | — | |
| SCHEMBL27577250 | 0.73 | — | — | |
| SCHEMBL28007103 | 0.73 | — | — | |
| SCHEMBL28213844 | 0.73 | — | — | |
| SCHEMBL4178001 | 0.68 | — | — | |
| SCHEMBL9752038 | 0.68 | — | — | |
| SCHEMBL27915938 | 0.66 | CHRM2 (0.30) | — | |
| SCHEMBL27898695 | 0.66 | NPC1 (0.31) | — | |
| SCHEMBL17532797 | 0.64 | — | — | |
| SCHEMBL10783455 | 0.64 | L3MBTL1 (0.32) | — |
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-105566369-A | Isoindolinone formamide skeleton-containing boron bifluoride complex and preparing method thereof | UNIV BEIJING CHEMICAL TECH | 2016-05-11 | — | — | CN | disclosed |