⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL497689 | 0.91 | TSHR (0.32) | — | |
| Hydrochloric Acid SCHEMBL6005400 | 0.89 | TSHR (0.31) | — | |
| SCHEMBL992741 | 0.80 | TDP1 (0.33) | — | |
| SCHEMBL9792834 | 0.77 | — | — | |
| SCHEMBL1328556 | 0.77 | TDP1 (0.31) | — | |
| SCHEMBL21504557 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL27278529 | 0.72 | — | — | |
| SCHEMBL14641829 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL602024 | 0.70 | TDP1 (0.35) | — | |
| SCHEMBL6891504 | 0.70 | TDP1 (0.35) | — |
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-2004089529-A1 | METHOD FOR THE INTRAMOLECULAR ENERGY TRANSFER FOR THE CLEAVAGE OF LABILE FUNCTIONAL GROUP FROM BIOMOLECULES AND THE PROTECTED BIOMOLECULES | Universität Konstanz (DE) | 2004-10-21 | — | — | WO | disclosed |