⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL19639026 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL2898083 | 0.99 | — | — | |
| SCHEMBL3012176 | 0.81 | — | — | |
| SCHEMBL4254393 | 0.76 | — | — | |
| SCHEMBL560183 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL19639025 | 0.70 | — | — | |
| SCHEMBL2163809 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL9981136 | 0.67 | — | — | |
| SCHEMBL9981148 | 0.67 | — | — | |
| SCHEMBL30186918 | 0.67 | MEN1 (0.33) | — |
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-3464585-B1 | AZLACTONE FUNCTIONALIZED SUBSTRATES FOR CONJUGATION OF BIOMOLECULES | BOSCH GMBH ROBERT (DE) | 2020-03-11 | — | — | EP | claimed |