⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL525402 | 1.00 | — | — | |
| Trifluoroacetic Acid SCHEMBL30091831 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL28859298 | 0.81 | SLC7A5 (0.42) | — | |
| SCHEMBL28859296 | 0.81 | SLC7A5 (0.42) | — | |
| SCHEMBL14790127 | 0.81 | TSHR (0.34) | — | |
| SCHEMBL93534 | 0.79 | — | — | |
| SCHEMBL19105201 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL4201386 | 0.77 | — | — | |
| SCHEMBL12211509 | 0.77 | — | — | |
| SCHEMBL2886770 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003057687-A1 | METHODS FOR PREPARING DOXORUBICIN DERIVATIVES | ALBANY MOLECULAR RESEARCH, INC. (US) | 2003-07-17 | — | — | WO | claimed |
| EP-4355724-A1 | SYNTHESIS OF VINYLATED HYDROXY ESTERS WITH APPLICABILITY IN SIGNAL ENHANCED MAGNETIC RESONANCE IMAGING | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2024-04-24 | — | — | EP | disclosed |
| WO-2022263620-A1 | SYNTHESIS OF VINYLATED HYDROXY ESTERS WITH APPLICABILITY IN SIGNAL ENHANCED MAGNETIC RESONANCE IMAGING | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) | 2022-12-22 | — | — | WO | disclosed |