⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14563926 | 1.00 | — | — | |
| SCHEMBL10536539 | 0.97 | TSHR (0.30) | — | |
| SCHEMBL10536545 | 0.97 | TSHR (0.30) | — | |
| SCHEMBL10682614 | 0.87 | MEN1 (0.52) | — | |
| SCHEMBL10646199 | 0.87 | MEN1 (0.52) | — | |
| SCHEMBL21119189 | 0.87 | MEN1 (0.52) | — | |
| SCHEMBL29105551 | 0.86 | — | — | |
| SCHEMBL10857467 | 0.86 | — | — | |
| SCHEMBL10858413 | 0.86 | — | — | |
| SCHEMBL10482395 | 0.84 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070060769-A1 | Integrated process to produce derivatives of butadiene addition products | THE UNIVERSITY OF SOUTHERN MISSISSIPPI RESEARCH FOUNDATION (US) | 2007-03-15 | — | — | US | disclosed |
| EP-1641737-A2 | INTEGRATED PROCESS TO PRODUCE DERIVATIVES OF BUTADIENE ADDITION PRODUCTS | University of Southern Mississippi Research Foundation (US) | 2006-04-05 | — | — | EP | disclosed |
| WO-2004113262-A2 | INTEGRATED PROCESS TO PRODUCE DERIVATIVES OF BUTADIENE ADDITION PRODUCTS | THE UNIVERSITY OF SOUTHERN MISSISSIPPI RESEARCH FOUNDATION (US) | 2004-12-29 | — | — | WO | disclosed |