⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL573231 | 1.00 | — | — | |
| Water SCHEMBL573386 | 1.00 | — | — | |
| Water SCHEMBL573385 | 1.00 | TSHR (0.37) | — | |
| Hydrochloric Acid SCHEMBL16974730 | 0.97 | — | — | |
| SCHEMBL7157362 | 0.90 | TSHR (0.35) | — | |
| SCHEMBL532758 | 0.88 | — | — | |
| SCHEMBL15309950 | 0.88 | TSHR (0.41) | — | |
| Phosphoric Acid SCHEMBL574558 | 0.86 | FDPS (0.43) | — | |
| Phosphoric Acid SCHEMBL574780 | 0.86 | FDPS (0.43) | — | |
| SCHEMBL3671291 | 0.86 | — | — |
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-20120213854-A1 | METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS | CERULEAN PHARMA INC. | 2012-08-23 | — | — | US | disclosed |
| US-20120064107-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE | CERULEAN PHARMA INC. (US) | 2012-03-15 | — | — | US | disclosed |
| US-20120015412-A1 | Preparation of Pregabalin and Related Compounds | PFIZER INC | 2012-01-19 | — | — | 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 |