⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4418436 | 0.87 | — | — | |
| SCHEMBL4415946 | 0.83 | LMNA (0.61) | — | |
| SCHEMBL4426358 | 0.83 | ALDH1A1 (0.64) | — | |
| SCHEMBL4421894 | 0.83 | ALDH1A1 (0.56) | — | |
| SCHEMBL4317040 | 0.81 | PKM (0.50) | — | |
| SCHEMBL4420161 | 0.80 | ALDH1A1 (0.57) | — | |
| SCHEMBL4428078 | 0.80 | GBA1 (0.51) | — | |
| SCHEMBL4425165 | 0.80 | ALDH1A1 (0.59) | — | |
| SCHEMBL4419677 | 0.80 | ALDH1A1 (0.57) | — | |
| SCHEMBL4428408 | 0.79 | ALDH1A1 (0.52) | — |
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-20090325964-A1 | Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression | WYETH (US) | 2009-12-31 | — | — | US | disclosed |