⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8516858 | 0.77 | — | — | |
| SCHEMBL12528356 | 0.74 | — | — | |
| SCHEMBL24615637 | 0.71 | — | — | |
| SCHEMBL22355661 | 0.68 | — | — | |
| SCHEMBL18272496 | 0.67 | — | — | |
| SCHEMBL14145209 | 0.67 | — | — | |
| SCHEMBL3134033 | 0.66 | — | — | |
| SCHEMBL19050057 | 0.66 | — | — | |
| SCHEMBL10157111 | 0.66 | — | — | |
| SCHEMBL23817467 | 0.66 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3649101-B1 | METHOD FOR THE PREPARATION OF 4-(HEPTAFLUORO-2-PROPYL) ANILINES | LONZA SOLUTIONS AG (CH) | 2021-03-24 | — | — | EP | disclosed |
| WO-2019030187-A1 | METHOD FOR THE PREPARATION OF 4-(HEPTAFLUORO-2-PROPYL) ANILINES | LONZA LTD (CH) | 2019-02-14 | — | — | WO | disclosed |