⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17786013 | 0.82 | — | — | |
| SCHEMBL2299128 | 0.76 | SMN1; SMN2 (0.31) | — | |
| Bicarbonate SCHEMBL6258274 | 0.69 | TP53 (0.39) | — | |
| SCHEMBL5223519 | 0.69 | TSHR (0.33) | — | |
| Propene SCHEMBL4290931 | 0.68 | TSHR (0.35) | — | |
| SCHEMBL5586463 | 0.68 | TSHR (0.31) | — | |
| Acetic Acid SCHEMBL10711426 | 0.67 | FFAR3 (0.47) | — | |
| SCHEMBL12189505 | 0.67 | HSD17B10 (0.32) | — | |
| SCHEMBL6572365 | 0.66 | — | — | |
| SCHEMBL7215120 | 0.65 | — | — |
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-10400064-B2 | Glycerol-based polycarbonates | TRUSTEES OF BOSTON UNIVERSITY (US) | 2019-09-03 | — | — | US | disclosed |
| US-20170369643-A1 | GLYCEROL-BASED POLYCARBONATES | TRUSTEES OF BOSTON UNIVERSITY (US) | 2017-12-28 | — | — | US | disclosed |