⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13853523 | 0.71 | — | — | |
| SCHEMBL18571286 | 0.71 | — | — | |
| SCHEMBL880954 | 0.67 | — | — | |
| SCHEMBL19996984 | 0.65 | — | — | |
| SCHEMBL17878151 | 0.63 | — | — | |
| SCHEMBL13973435 | 0.62 | — | — | |
| SCHEMBL9299059 | 0.61 | — | — | |
| SCHEMBL18571535 | 0.59 | — | — | |
| SCHEMBL20800783 | 0.58 | — | — | |
| SCHEMBL13211585 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021011876-A2 | MODULATORS OF EXCITATORY AMINO ACID TRANSPORTERS AND METHODS USING SAME | THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) | 2021-01-21 | — | — | WO | disclosed |