⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1859356 | 1.00 | — | — | |
| SCHEMBL1859790 | 1.00 | — | — | |
| SCHEMBL2012505 | 1.00 | — | — | |
| SCHEMBL18984256 | 1.00 | — | — | |
| SCHEMBL4143588 | 1.00 | — | — | |
| SCHEMBL6355721 | 1.00 | — | — | |
| SCHEMBL562973 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27547143 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7782605 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL6838917 | 0.97 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8445670-B2 | Combinatorial library approach to iminocyclitols with biological activity | UNITED THERAPEUTICS CORPORATION (US) | 2013-05-21 | — | — | US | disclosed |
| US-20090182154-A1 | Combinatorial library approach to iminocyclitols with biological activity | UNITED THERAPEUTICS CORPORATION | 2009-07-16 | — | — | US | disclosed |
| US-20070088164-A1 | Combinatorial library approach to iminocyclitols with biological activity | MORIARITY ROBERT M | 2007-04-19 | — | — | US | disclosed |