⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL48597 | 0.95 | — | — | |
| SCHEMBL2289367 | 0.79 | — | — | |
| SCHEMBL780333 | 0.64 | — | — | |
| SCHEMBL23325 | 0.63 | — | — | |
| SCHEMBL2683512 | 0.63 | — | — | |
| SCHEMBL28178587 | 0.60 | — | — | |
| SCHEMBL1078946 | 0.56 | ALDH1A1 (0.46) | — | |
| SCHEMBL60898 | 0.56 | — | — | |
| SCHEMBL9184620 | 0.56 | — | — | |
| SCHEMBL56391 | 0.56 | — | — |
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-103426646-B | A kind of DSSC | HEFEI UNIVERSITY OF TECHNOLOGY (CN) | 2016-05-11 | — | — | CN | disclosed |