⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11063402 | 0.73 | — | — | |
| SCHEMBL3764600 | 0.69 | — | — | |
| SCHEMBL7521140 | 0.67 | — | — | |
| SCHEMBL167721 | 0.67 | TSHR (0.60) | — | |
| SCHEMBL1292904 | 0.67 | TSHR (0.60) | — | |
| SCHEMBL8723794 | 0.65 | — | — | |
| Ethylene Glycol SCHEMBL17512165 | 0.64 | HPGD (0.47) | — | |
| Ethylene Glycol SCHEMBL7580153 | 0.64 | HPGD (0.47) | — | |
| Ethylene Glycol SCHEMBL498514 | 0.64 | HPGD (0.47) | — | |
| SCHEMBL6579167 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1064004-A1 | METAL/THIOL BIOCIDES | Winthrop-University Hospital (US) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999021568-A1 | METAL/THIOL BIOCIDES | WINTHROP-UNIVERSITY HOSPITAL (US) | 1999-05-06 | — | — | WO | disclosed |