⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9556867 | 0.75 | — | — | |
| SCHEMBL13181402 | 0.73 | — | — | |
| SCHEMBL9888226 | 0.73 | — | — | |
| SCHEMBL2916585 | 0.73 | — | — | |
| SCHEMBL14599212 | 0.71 | — | — | |
| SCHEMBL1784271 | 0.71 | — | — | |
| SCHEMBL13208861 | 0.71 | — | — | |
| SCHEMBL27987070 | 0.71 | — | — | |
| SCHEMBL1876074 | 0.70 | — | — | |
| SCHEMBL686736 | 0.70 | — | — |
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-20190055267-A1 | ORGANOTRIFLUOROBORATE MIMICS OF AMINO ACIDS AND USES THEREOF | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN (US) | 2019-02-21 | — | — | US | disclosed |