⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11225036 | 0.65 | ITGB3 (0.34) | — | |
| SCHEMBL31058804 | 0.65 | — | — | |
| SCHEMBL9795576 | 0.63 | ALOX5 (0.54) | — | |
| Hydrochloric Acid SCHEMBL1126384 | 0.63 | — | — | |
| Barbituric Acid SCHEMBL38707 | 0.62 | — | — | |
| Barbituric Acid SCHEMBL9941322 | 0.62 | — | — | |
| Barbituric Acid SCHEMBL4560317 | 0.62 | ALDH1A1 (0.55) | — | |
| Barbituric Acid SCHEMBL11674448 | 0.61 | ALDH1A1 (0.54) | — | |
| SCHEMBL8699049 | 0.60 | — | — | |
| SCHEMBL21277568 | 0.60 | CRBN (0.76) | — |
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-1308452-B1 | Oligonucleotide labeling reactants based on acyclonucleosides and conjugates derived thereof | WALLAC OY (FI) | 2008-03-19 | — | — | EP | claimed |