⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17510887 | 0.70 | — | — | |
| SCHEMBL2167590 | 0.67 | — | — | |
| SCHEMBL6353466 | 0.62 | — | — | |
| SCHEMBL432766 | 0.53 | ALDH1A1 (0.30) | — | |
| SCHEMBL11240395 | 0.53 | ALDH1A1 (0.40) | — | |
| SCHEMBL1107768 | 0.53 | — | — | |
| SCHEMBL838012 | 0.50 | — | — | |
| Hydrochloric Acid SCHEMBL5202134 | 0.50 | — | — | |
| SCHEMBL707917 | 0.50 | — | — | |
| SCHEMBL1482597 | 0.50 | — | — |
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-2155262-A2 | COMPOSITIONS FOR TARGETED IMAGING AND THERAPY | Radiomedix Inc. (US) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008119036-A2 | COMPOSITIONS FOR TARGETED IMAGING AND THERAPY | RADIOMEDIX INC. (US) | 2008-10-02 | — | — | WO | disclosed |