⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3497998 | 0.97 | — | — | |
| Vinylsulfonic Acid SCHEMBL5130642 | 0.88 | TSHR (0.30) | — | |
| Ethylene Glycol SCHEMBL10584826 | 0.76 | ALDH1A1 (0.31) | — | |
| Ethylene Glycol SCHEMBL413417 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL413416 | 0.76 | — | — | |
| Ethylene SCHEMBL15005585 | 0.74 | — | — | |
| SCHEMBL3719747 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL3748421 | 0.71 | — | — | |
| SCHEMBL610721 | 0.71 | — | — | |
| SCHEMBL30709586 | 0.69 | ACHE (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1585817-B1 | CONJUGATES COMPRISING A BIODEGRADABLE POLYMER AND USES THEREFOR | GEN HOSPITAL CORP (US) | 2009-09-02 | — | — | EP | claimed |