⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8606951 | 0.77 | HTT (0.46) | — | |
| SCHEMBL7750413 | 0.76 | — | — | |
| SCHEMBL610647 | 0.72 | HTT (0.37) | — | |
| SCHEMBL1435185 | 0.70 | HTT (0.36) | — | |
| SCHEMBL27220812 | 0.70 | HTT (0.36) | — | |
| SCHEMBL5356743 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL19531996 | 0.69 | MGAM (0.40) | — | |
| SCHEMBL2260543 | 0.69 | HTT (0.34) | — | |
| SCHEMBL9330457 | 0.67 | — | — | |
| SCHEMBL5411191 | 0.67 | — | — |
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-5783732-A | 2:2 mixed Fluoro-, and fluoronitroalkyl orthocarbonates | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1998-07-21 | — | — | US | disclosed |