⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12523487 | 0.73 | — | — | |
| SCHEMBL6950834 | 0.71 | ALDH1A1 (0.56) | — | |
| SCHEMBL8295 | 0.71 | — | — | |
| SCHEMBL1568540 | 0.71 | — | — | |
| SCHEMBL4743052 | 0.71 | — | — | |
| SCHEMBL4124058 | 0.71 | — | — | |
| SCHEMBL11120444 | 0.69 | — | — | |
| SCHEMBL4306701 | 0.69 | — | — | |
| SCHEMBL2592313 | 0.69 | — | — | |
| SCHEMBL18827244 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160058874-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY | CERULEAN PHARMA INC. (US) | 2016-03-03 | — | — | US | disclosed |
| US-20120064107-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE | CERULEAN PHARMA INC. (US) | 2012-03-15 | — | — | US | disclosed |