⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17620603 | 0.85 | — | — | |
| SCHEMBL12042636 | 0.85 | — | — | |
| SCHEMBL5576929 | 0.79 | GAA (0.36) | — | |
| SCHEMBL5576562 | 0.79 | GAA (0.36) | — | |
| SCHEMBL5576969 | 0.79 | GAA (0.36) | — | |
| SCHEMBL5576948 | 0.75 | — | — | |
| SCHEMBL16079265 | 0.74 | — | — | |
| SCHEMBL11887331 | 0.74 | — | — | |
| SCHEMBL163447 | 0.71 | — | — | |
| SCHEMBL45853 | 0.71 | — | — |
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-20130059816-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE | CERULEAN PHARMA INC. (US) | 2013-03-07 | — | — | US | disclosed |
| US-20120058971-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY | CERULEAN PHARMA INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-20110237540-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY | CERULEAN PHARMA INC. | 2011-09-29 | — | — | US | disclosed |