⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9289667 | 0.82 | CA5A (0.33) | — | |
| SCHEMBL23501717 | 0.79 | CA5A (0.31) | — | |
| SCHEMBL1695401 | 0.79 | CA5A (0.31) | — | |
| SCHEMBL2469912 | 0.77 | — | — | |
| SCHEMBL13937392 | 0.77 | TP53 (0.31) | — | |
| SCHEMBL1819528 | 0.74 | — | — | |
| SCHEMBL1355604 | 0.74 | — | — | |
| SCHEMBL7651535 | 0.72 | PTGS1 (0.39) | — | |
| SCHEMBL3670178 | 0.72 | — | — | |
| SCHEMBL621335 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101124516-A | Pattern forming material, pattern forming apparatus, and pattern forming method | FUJI FILM CORP (JP) | 2008-02-13 | — | — | CN | disclosed |
| US-20060105045-A1 | Cyclodextrin solubilizers for liquid and semi-solid formulations | EASTMAN CHEMICAL COMPANY | 2006-05-18 | — | — | US | disclosed |
| WO-2006052921-A2 | CYCLODEXTRIN SOLUBILIZERS FOR LIQUID AND SEMI-SOLID FORMULATIONS | EASTMAN CHEMICAL COMPANY (US) | 2006-05-18 | — | — | WO | disclosed |