⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL464619 | 1.00 | — | — | |
| SCHEMBL17190880 | 0.80 | — | — | |
| SCHEMBL533350 | 0.76 | — | — | |
| SCHEMBL28365212 | 0.72 | — | — | |
| SCHEMBL14618835 | 0.72 | — | — | |
| SCHEMBL28597374 | 0.72 | — | — | |
| SCHEMBL18929727 | 0.72 | — | — | |
| SCHEMBL15309950 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL15310039 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL8527432 | 0.70 | — | — |
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 4 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-20120065161-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY | CERULEAN PHARMA INC. (US) | 2012-03-15 | — | — | US | disclosed |
| US-20110152512-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY | CERULEAN PHARMA INC. | 2011-06-23 | — | — | US | disclosed |
| US-20100285144-A1 | POLYMER-EPOTHILONE CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE | CERULEAN PHARMA INC. | 2010-11-11 | — | — | US | disclosed |