⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11559559 | 0.73 | — | — | |
| SCHEMBL27701 | 0.69 | — | — | |
| SCHEMBL13829907 | 0.69 | — | — | |
| SCHEMBL18338701 | 0.67 | — | — | |
| SCHEMBL7736489 | 0.67 | — | — | |
| SCHEMBL10413610 | 0.67 | — | — | |
| SCHEMBL6721874 | 0.67 | — | — | |
| SCHEMBL2545709 | 0.67 | — | — | |
| SCHEMBL9430418 | 0.67 | — | — | |
| SCHEMBL333626 | 0.67 | — | — |
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-105829454-A | Dye compounds | 默克专利股份有限公司 | 2016-08-03 | — | — | CN | disclosed |