⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29390564 | 1.00 | MAOA (0.60) | — | |
| SCHEMBL482716 | 1.00 | MAOA (0.60) | — | |
| SCHEMBL4571020 | 1.00 | MAOA (0.60) | — | |
| SCHEMBL16786519 | 0.86 | MAOA (0.48) | — | |
| SCHEMBL25058991 | 0.85 | MAOA (0.48) | — | |
| SCHEMBL18031259 | 0.85 | MAOA (0.48) | — | |
| SCHEMBL21312225 | 0.85 | MAOA (0.48) | — | |
| SCHEMBL7169494 | 0.83 | MAOA (0.46) | — | |
| SCHEMBL14156350 | 0.83 | MAOA (0.46) | — | |
| SCHEMBL6095161 | 0.81 | MAOA (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013116200-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY | CERULEAN PHARMA INC. (US) | 2013-08-08 | — | — | WO | disclosed |
| US-20090286078-A1 | POLYIMIDES DOPE COMPOSITION, PREPARATION METHOD OF HOLLOW FIBER USING THE SAME AND HOLLOW FIBER PREPARED THEREFROM | INDUSTRY-UNIVERSITY COOPERATION FOUNDATION, HANYANG UNIVERSITY (KR) | 2009-11-19 | — | — | US | disclosed |