⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL147928 | 0.84 | — | — | |
| Nitrous Acid SCHEMBL28465948 | 0.74 | — | — | |
| Bicarbonate SCHEMBL6033140 | 0.71 | — | — | |
| Bicarbonate SCHEMBL9637401 | 0.71 | CA1 (0.67) | — | |
| Nitrous Acid SCHEMBL337945 | 0.71 | — | — | |
| Nitrous Acid SCHEMBL2348981 | 0.71 | — | — | |
| Butane SCHEMBL10738739 | 0.69 | FFAR3 (0.40) | — | |
| Oxalic Acid SCHEMBL9227801 | 0.68 | — | — | |
| SCHEMBL1027871 | 0.68 | — | — | |
| Bicarbonate SCHEMBL28225162 | 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-0772459-B1 | TECHNETIUM-99m LABELED IMAGING AGENTS | DIATIDE INC (US) | 2003-03-19 | — | — | EP | claimed |