⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2561495 | 0.89 | ALDH1A1 (0.30) | — | |
| SCHEMBL2721861 | 0.81 | GRIN2D (0.36) | — | |
| SCHEMBL2555003 | 0.75 | GRIN2D (0.32) | — | |
| SCHEMBL9945933 | 0.73 | — | — | |
| SCHEMBL19795478 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL29115841 | 0.73 | LPL (0.33) | — | |
| SCHEMBL4889935 | 0.70 | TUBB1 (0.36) | — | |
| SCHEMBL25650263 | 0.69 | CCNB2 (0.36) | — | |
| SCHEMBL257743 | 0.68 | — | — | |
| SCHEMBL2562730 | 0.68 | CYP1A2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120149693-A1 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2012-06-14 | — | — | US | disclosed |