⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6525448 | 0.75 | — | — | |
| SCHEMBL16221481 | 0.75 | — | — | |
| SCHEMBL17347417 | 0.70 | — | — | |
| SCHEMBL15927513 | 0.70 | — | — | |
| SCHEMBL11189840 | 0.65 | — | — | |
| SCHEMBL17347416 | 0.64 | — | — | |
| SCHEMBL9747597 | 0.63 | MEN1 (0.30) | — | |
| SCHEMBL6519812 | 0.62 | — | — | |
| SCHEMBL15698998 | 0.61 | CES1 (0.31) | — | |
| SCHEMBL701842 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8957253-B2 | Hexafluorodimethylcarbinol terminated alkane- and alkenethiols | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2015-02-17 | — | — | US | disclosed |
| US-20140330043-A1 | HEXAFLUORODIMETHYLCARBINOL TERMINATED ALKANE- AND ALKENETHIOLS | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2014-11-06 | — | — | US | disclosed |
| US-8816116-B2 | Hexafluorodimethylcarbinol terminated alkane- and alkenethiols | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2014-08-26 | — | — | US | disclosed |
| US-20140107362-A1 | HEXAFLUORODIMETHYLCARBINOL TERMINATED ALKANE- AND ALKENETHIOLS | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2014-04-17 | — | — | US | disclosed |