⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1271518 | 0.75 | — | — | |
| SCHEMBL272833 | 0.75 | — | — | |
| SCHEMBL1272329 | 0.69 | THRB (0.35) | — | |
| SCHEMBL10476348 | 0.67 | — | — | |
| SCHEMBL18241904 | 0.67 | THRB (0.46) | — | |
| SCHEMBL18242685 | 0.65 | THRB (0.50) | — | |
| SCHEMBL18242758 | 0.65 | THRB (0.50) | — | |
| SCHEMBL6359935 | 0.65 | — | — | |
| SCHEMBL18243109 | 0.65 | THRB (0.50) | — | |
| SCHEMBL1272330 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2005146309-A | METHOD OF PRODUCING FLUORINATED SOLID MATERIAL, AND PRODUCT THEREBY | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL & TECHNOLOGY | 2005-06-09 | — | — | JP | disclosed |