⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5892547 | 0.81 | KDM4E (0.31) | — | |
| SCHEMBL5892587 | 0.76 | — | — | |
| SCHEMBL14639864 | 0.75 | — | — | |
| SCHEMBL2351424 | 0.75 | — | — | |
| SCHEMBL5892490 | 0.72 | — | — | |
| SCHEMBL5892530 | 0.72 | — | — | |
| SCHEMBL3063779 | 0.72 | KDM4E (0.30) | — | |
| SCHEMBL3364098 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL5892469 | 0.65 | KDM4E (0.34) | — | |
| SCHEMBL5892544 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7012161-B2 | 1-hydroxy-1-(5-norbornene-2-yl)-2,2,4,4,4-pentafluorobutane-3-one; 1-(5-norbornene-2-yl)-2,2,4,4,4-pentafluorobutane-1,3,3-triol; excellent in transparency to irradiation, dry etching resistance, has low hydrophobicity, excellent in development characteristics, useful for photoresist resin | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2006-03-14 | — | — | US | disclosed |
| US-20050054883-A1 | Novel compound, fluorine-containing polymerizable cyclic olefin compound | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2005-03-10 | — | — | US | disclosed |