⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16648522 | 1.00 | — | — | |
| SCHEMBL11540864 | 1.00 | — | — | |
| SCHEMBL30368683 | 0.83 | — | — | |
| SCHEMBL30368564 | 0.83 | — | — | |
| SCHEMBL30368554 | 0.83 | — | — | |
| SCHEMBL11542386 | 0.83 | — | — | |
| SCHEMBL11540162 | 0.83 | — | — | |
| SCHEMBL30368875 | 0.80 | — | — | |
| SCHEMBL30368485 | 0.80 | — | — | |
| SCHEMBL11537471 | 0.80 | — | — |
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-4172016-A | Method for manufacture of perfluorotetrahydrofuran derivatives | AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) | 1979-10-23 | — | — | US | disclosed |