⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19047014 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL13377720 | 0.64 | MEN1 (0.36) | — | |
| SCHEMBL21597984 | 0.61 | TSHR (0.41) | — | |
| SCHEMBL6154118 | 0.61 | CYP1A2 (0.59) | — | |
| SCHEMBL6154367 | 0.61 | CYP1A2 (0.59) | — | |
| SCHEMBL6427020 | 0.61 | CYP1A2 (0.59) | — | |
| SCHEMBL2383804 | 0.60 | TDP1 (0.35) | — | |
| SCHEMBL2383807 | 0.60 | TDP1 (0.35) | — | |
| SCHEMBL19281761 | 0.60 | MME (0.60) | — | |
| SCHEMBL2541606 | 0.60 | LMNA (0.48) | — |
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-2007789-B1 | Spirocyclic HCV/HIV inhibitors and their uses | NOVARTIS AG (CH) | 2015-05-20 | — | — | EP | disclosed |