⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23503287 | 0.92 | GAA (0.52) | — | |
| SCHEMBL9495730 | 0.92 | GAA (0.52) | — | |
| SCHEMBL8262448 | 0.92 | GAA (0.52) | — | |
| SCHEMBL7886644 | 0.92 | GAA (0.52) | — | |
| SCHEMBL3380415 | 0.92 | GAA (0.52) | — | |
| SCHEMBL28068212 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL28276138 | 0.80 | — | — | |
| SCHEMBL8860677 | 0.78 | — | — | |
| SCHEMBL3478919 | 0.78 | — | — | |
| SCHEMBL3502688 | 0.78 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7157487-B2 | Vla-4 inhibitors | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-01-02 | — | — | US | disclosed |
| US-5352591-A | Intermediates for enzyme inhibitors | THE SCRIPPS RESEARCH INSTITUTE (US) | 1994-10-04 | — | — | US | disclosed |
| US-5229523-A | Glycosidase inhibitors | THE SCRIPPS RESEARCH INSTITUTE (US) | 1993-07-20 | — | — | US | disclosed |
| WO-1992021655-A2 | 2-METHYL-5-HYDROXYMETHYL- AND 2,5-DIMETHYL-3,4-DIHYDROXYPYRROLIDINES | THE SCRIPPS RESEARCH INSTITUTE (US) | 1992-12-10 | — | — | WO | disclosed |
| EP-0499873-A2 | Use of 3,(4)-substituted pyrrozidines as catalysts in the polyisocyanate-polyaddition process, process for their preparation and a process for the preparation of polyurethanes and polyureas | BAYER AG (DE) | 1992-08-26 | — | — | EP | disclosed |