⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28268355 | 0.84 | HSD17B3 (0.34) | — | |
| SCHEMBL28268229 | 0.80 | SLC6A2 (0.35) | — | |
| SCHEMBL28264088 | 0.78 | HPGD (0.31) | — | |
| SCHEMBL28255144 | 0.71 | — | — | |
| SCHEMBL28297096 | 0.64 | HTR2A (0.36) | — | |
| SCHEMBL22525245 | 0.60 | ACE (0.50) | — | |
| SCHEMBL22525233 | 0.60 | ACE (0.50) | — | |
| SCHEMBL28000665 | 0.59 | KMT2A (0.37) | — | |
| SCHEMBL13923532 | 0.58 | SIGMAR1 (0.36) | — | |
| SCHEMBL27982978 | 0.57 | ACE (0.41) | — |
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-109293555-A | It is the method that one step of starting material constructs 2- tert-butyl -5,6- dichloro isoindoline -1,3- diketone using imines | 桂林理工大学 | 2019-02-01 | — | — | CN | claimed |
| CN-109293555-A | It is the method that one step of starting material constructs 2- tert-butyl -5,6- dichloro isoindoline -1,3- diketone using imines | 桂林理工大学 | 2019-02-01 | — | — | CN | disclosed |
| CN-109293555-A | It is the method that one step of starting material constructs 2- tert-butyl -5,6- dichloro isoindoline -1,3- diketone using imines | 桂林理工大学 | 2019-02-01 | — | — | CN | disclosed |
| CN-109293555-A | It is the method that one step of starting material constructs 2- tert-butyl -5,6- dichloro isoindoline -1,3- diketone using imines | 桂林理工大学 | 2019-02-01 | — | — | CN | disclosed |