⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20231414 | 0.79 | CA2 (0.30) | — | |
| SCHEMBL20706206 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL22272329 | 0.78 | — | — | |
| SCHEMBL19827367 | 0.75 | — | — | |
| SCHEMBL20987798 | 0.75 | — | — | |
| SCHEMBL14231117 | 0.74 | — | — | |
| SCHEMBL23934845 | 0.73 | — | — | |
| SCHEMBL15692469 | 0.73 | — | — | |
| SCHEMBL24160623 | 0.73 | — | — | |
| SCHEMBL17565592 | 0.72 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008134731-A1 | HYBRID BLOCK COPOLYMER MICELLES WITH MIXED STEREOCHEMISTRY FOR ENCAPSULATION OF HYDROPHOBIC AGENTS | INTEZYNE TECHNOLOGIES, INC. (US) | 2008-11-06 | — | — | WO | disclosed |