⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3975814 | 0.71 | HCRTR1 (0.45) | — | |
| SCHEMBL4239369 | 0.69 | USP30 (0.34) | — | |
| SCHEMBL4237399 | 0.63 | MEN1 (0.30) | — | |
| SCHEMBL4341171 | 0.63 | ALDH1A1 (0.57) | — | |
| SCHEMBL3977707 | 0.62 | HCRTR1 (0.39) | — | |
| SCHEMBL17938107 | 0.59 | PRCP (0.38) | — | |
| SCHEMBL4543229 | 0.59 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL1273978 | 0.57 | — | — | |
| SCHEMBL4945126 | 0.56 | NOTUM (0.40) | — | |
| SCHEMBL9564390 | 0.56 | KDM4E (0.41) | — |
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-20090111825-A1 | THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | US | disclosed |