⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL838944 | 0.81 | — | — | |
| SCHEMBL4251861 | 0.81 | — | — | |
| Bromide SCHEMBL30739545 | 0.79 | — | — | |
| SCHEMBL28477354 | 0.79 | — | — | |
| SCHEMBL11458322 | 0.79 | — | — | |
| SCHEMBL542866 | 0.77 | — | — | |
| SCHEMBL322454 | 0.77 | — | — | |
| SCHEMBL28263163 | 0.77 | ALDH1A1 (0.53) | — | |
| Hypochlorous Acid SCHEMBL28382927 | 0.76 | — | — | |
| Benzene SCHEMBL28151441 | 0.76 | TSHR (0.53) | — |
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-2009031818-A2 | BIOMARKER FOR PURIFICATION OR IDENTIFICATION OF MESENCHYMAL STEM CELLS AND METHODS OF PURIFICATION OF MESENCHYMAL STEM CELLS BY USING IT | GENEXEL-SEIN. INC. (KR) | 2009-03-12 | — | — | WO | disclosed |