⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2795229 | 0.97 | — | — | |
| SCHEMBL10181333 | 0.97 | — | — | |
| SCHEMBL2510266 | 0.86 | — | — | |
| SCHEMBL2007351 | 0.75 | — | — | |
| Ethylenediamine SCHEMBL8645618 | 0.73 | — | — | |
| SCHEMBL17869056 | 0.73 | — | — | |
| SCHEMBL23107035 | 0.71 | — | — | |
| SCHEMBL2711950 | 0.65 | — | — | |
| SCHEMBL13366909 | 0.65 | — | — | |
| SCHEMBL13283402 | 0.65 | — | — |
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-2015054103-A1 | OXAZOLIDINONES AS MODULATORS OF MGLUR5 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-04-16 | — | — | WO | disclosed |