⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6316261 | 0.85 | — | — | |
| SCHEMBL6325146 | 0.84 | — | — | |
| SCHEMBL6316871 | 0.82 | — | — | |
| SCHEMBL5917718 | 0.75 | EPHX2 (0.36) | — | |
| SCHEMBL6105744 | 0.74 | EPHX2 (0.31) | — | |
| SCHEMBL12066321 | 0.69 | SLC6A3 (0.32) | — | |
| SCHEMBL3435218 | 0.68 | CYP19A1 (0.32) | — | |
| SCHEMBL4900373 | 0.68 | SLC6A3 (0.33) | — | |
| SCHEMBL25802902 | 0.68 | SLC6A3 (0.31) | — | |
| SCHEMBL1819178 | 0.68 | SLC6A3 (0.31) | — |
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-20050282985-A1 | FLUORINE-ATOM-CONTAINING POLYMERIZABLE UNSATURATED-MONOMER, FLUORINE-ATOM-CONTAINING POLYMERIC COMPOUND AND PHOTORESIST RESIN COMPOSITION | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2005-12-22 | — | — | US | disclosed |