⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13730333 | 0.90 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL14286498 | 0.89 | APEX1 (0.34) | — | |
| SCHEMBL19102455 | 0.89 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL12650302 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL421366 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL15314276 | 0.75 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL18862484 | 0.75 | HRH2 (0.41) | — | |
| SCHEMBL12650304 | 0.74 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL23619608 | 0.73 | THRB (0.33) | — | |
| SCHEMBL21125866 | 0.72 | HRH2 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1639029-B1 | BIODEGRADABLE POLY(BETA-AMINO ESTERS) AND USES THEREOF | MASSACHUSETTS INST TECHNOLOGY (US) | 2007-07-11 | — | — | EP | disclosed |