⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28813360 | 0.75 | ALDH1A1 (0.32) | — | |
| Methyl Alcohol SCHEMBL28183931 | 0.74 | BRD4 (0.33) | — | |
| SCHEMBL1123 | 0.74 | — | — | |
| SCHEMBL338264 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL785147 | 0.74 | — | — | |
| SCHEMBL25175816 | 0.71 | — | — | |
| SCHEMBL21409686 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL1914672 | 0.71 | — | — | |
| SCHEMBL21409789 | 0.71 | — | — | |
| SCHEMBL21409683 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1092726-B1 | Radioactively-labeled somatostatin derived peptides for imaging and therapeutics uses | DIATIDE INC (US) | 2006-08-23 | — | — | EP | disclosed |
| EP-1572639-A4 | INTEGRIN TARGETED IMAGING AGENTS | BARNES JEWISH HOSPITAL (US) | 2006-08-09 | — | — | EP | disclosed |
| EP-1572639-A1 | INTEGRIN TARGETED IMAGING AGENTS | Barnes Jewish Hospital (US) | 2005-09-14 | — | — | EP | disclosed |
| WO-2003062198-A1 | INTEGRIN TARGETED IMAGING AGENTS | BARNES JEWISH HOSPITAL (US) | 2003-07-31 | — | — | WO | disclosed |