⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2423505 | 0.72 | — | — | |
| SCHEMBL1014297 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL1245998 | 0.69 | — | — | |
| SCHEMBL4887740 | 0.69 | — | — | |
| SCHEMBL1880913 | 0.67 | — | — | |
| SCHEMBL14675764 | 0.67 | — | — | |
| SCHEMBL5660160 | 0.67 | — | — | |
| SCHEMBL28048779 | 0.67 | — | — | |
| SCHEMBL8057560 | 0.67 | — | — | |
| SCHEMBL28291385 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105199422-B | Sulfhydryl group-containing bithiophene benzoindoles dye as well as preparation method and application thereof | 北京科技大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-105199422-A | Sulfhydryl group-containing bithiophene benzoindoles dye as well as preparation method and application thereof | UNIV BEIJING SCIENCE & TECH | 2015-12-30 | — | — | CN | disclosed |