⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL277029 | 0.76 | TDP1 (0.42) | — | |
| SCHEMBL9750707 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL18682927 | 0.70 | — | — | |
| SCHEMBL16139527 | 0.70 | TSHR (0.44) | — | |
| SCHEMBL8289823 | 0.69 | — | — | |
| SCHEMBL1001964 | 0.69 | — | — | |
| SCHEMBL8940302 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL28970016 | 0.68 | — | — | |
| SCHEMBL23883550 | 0.67 | — | — | |
| SCHEMBL21847373 | 0.67 | TSHR (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 |