⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15514232 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL587339 | 0.70 | FFAR3 (0.35) | — | |
| SCHEMBL20721222 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL7723088 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL1502471 | 0.69 | PKM (0.39) | — | |
| SCHEMBL15515009 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL9446996 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL23309309 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL13160782 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL10206074 | 0.63 | THRB (0.44) | — |
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 |