⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1686802 | 0.80 | — | — | |
| SCHEMBL18840034 | 0.80 | ALDH1A1 (0.47) | — | |
| SCHEMBL547602 | 0.72 | — | — | |
| SCHEMBL30309717 | 0.72 | — | — | |
| SCHEMBL512801 | 0.72 | — | — | |
| SCHEMBL839170 | 0.72 | — | — | |
| SCHEMBL68517 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7156390 | 0.70 | ALDH1A1 (0.58) | — | |
| SCHEMBL2049801 | 0.70 | — | — | |
| SCHEMBL1423760 | 0.68 | — | — |
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-0944591-B1 | VITAMIN D IMMUNOASSAY SYSTEMS | IMMUNODIAGNOSTIC SYSTEMS LTD (GB) | 2002-06-05 | — | — | EP | claimed |