⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28268229 | 0.76 | SLC6A2 (0.35) | — | |
| SCHEMBL28277626 | 0.71 | — | — | |
| SCHEMBL28268355 | 0.69 | HSD17B3 (0.34) | — | |
| SCHEMBL28264088 | 0.69 | HPGD (0.31) | — | |
| SCHEMBL27374390 | 0.61 | HCRTR1 (0.31) | — | |
| SCHEMBL28281999 | 0.59 | TAS1R3 (0.31) | — | |
| SCHEMBL22525233 | 0.56 | ACE (0.50) | — | |
| SCHEMBL22525245 | 0.56 | ACE (0.50) | — | |
| SCHEMBL28063774 | 0.55 | ALDH1A1 (0.31) | — | |
| SCHEMBL25508471 | 0.55 | UGT2B17 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109020867-A | It is the method that one step of starting material constructs 2- tert-butyl -4,6- dimethyl isoindoline -1,3- diketone using imines | 桂林理工大学 | 2018-12-18 | — | — | CN | claimed |
| CN-109020867-A | It is the method that one step of starting material constructs 2- tert-butyl -4,6- dimethyl isoindoline -1,3- diketone using imines | 桂林理工大学 | 2018-12-18 | — | — | CN | disclosed |
| CN-109020867-A | It is the method that one step of starting material constructs 2- tert-butyl -4,6- dimethyl isoindoline -1,3- diketone using imines | 桂林理工大学 | 2018-12-18 | — | — | CN | disclosed |
| CN-109020867-A | It is the method that one step of starting material constructs 2- tert-butyl -4,6- dimethyl isoindoline -1,3- diketone using imines | 桂林理工大学 | 2018-12-18 | — | — | CN | disclosed |