⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24514891 | 0.86 | — | — | |
| SCHEMBL20439663 | 0.75 | — | — | |
| SCHEMBL8566623 | 0.62 | — | — | |
| SCHEMBL12878743 | 0.57 | — | — | |
| SCHEMBL28235020 | 0.54 | — | — | |
| SCHEMBL561897 | 0.51 | — | — | |
| Water SCHEMBL28448442 | 0.51 | — | — | |
| SCHEMBL25626251 | 0.49 | — | — | |
| SCHEMBL1725392 | 0.47 | — | — | |
| SCHEMBL8571870 | 0.47 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101885732-B | Heterocyclic-sulfur fused naphthalenetetracarboxylic acid diimide derivatives, preparation method and application thereof | SHANGHAI INST ORGANIC CHEM | 2012-06-27 | — | — | CN | disclosed |
| CN-101885732-A | Heterocyclic-sulfur fused naphthalenetetracarboxylic acid diimide derivatives, preparation method and application thereof | SHANGHAI INST ORGANIC CHEM | 2010-11-17 | — | — | CN | disclosed |