⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL820891 | 0.75 | — | — | |
| SCHEMBL17973357 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL14974098 | 0.68 | — | — | |
| SCHEMBL575598 | 0.67 | — | — | |
| SCHEMBL14134114 | 0.65 | — | — | |
| SCHEMBL353546 | 0.63 | — | — | |
| SCHEMBL12298748 | 0.60 | — | — | |
| SCHEMBL10072042 | 0.60 | — | — | |
| SCHEMBL1935626 | 0.60 | — | — | |
| SCHEMBL18774792 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120301829-A1 | RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, NOVEL COMPOUND, AND ACID GENERATOR | TOKYO OHKA KOGYO CO., LTD. (JP) | 2012-11-29 | — | — | US | disclosed |