⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL488058 | 0.73 | — | — | |
| SCHEMBL24849519 | 0.69 | — | — | |
| SCHEMBL3358652 | 0.67 | — | — | |
| SCHEMBL11506459 | 0.66 | ALDH1A1 (0.42) | — | |
| SCHEMBL590442 | 0.61 | — | — | |
| SCHEMBL7871497 | 0.61 | — | — | |
| SCHEMBL37338 | 0.61 | ALDH1A1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL81805 | 0.58 | ALDH1A1 (0.42) | — | |
| SCHEMBL3638600 | 0.58 | ALDH1A1 (0.42) | — | |
| SCHEMBL7083879 | 0.58 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016098028-A1 | END CAPPED NUCLEIC ACID MOLECULES | NOVARTIS AG (CH) | 2016-06-23 | — | — | WO | disclosed |