⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL776426 | 0.78 | CA2 (0.34) | — | |
| SCHEMBL779226 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL21396637 | 0.77 | — | — | |
| SCHEMBL10002102 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL778582 | 0.76 | CA2 (0.38) | — | |
| SCHEMBL12159416 | 0.76 | ATR (0.31) | — | |
| SCHEMBL30818537 | 0.74 | CA2 (0.40) | — | |
| SCHEMBL8648820 | 0.74 | CA2 (0.40) | — | |
| SCHEMBL4158953 | 0.74 | CA2 (0.40) | — | |
| SCHEMBL8647396 | 0.74 | CA2 (0.40) | — |
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-8039198-B2 | Sulfonium salt-containing polymer, resist composition, and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2011-10-18 | — | — | US | disclosed |