⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17837078 | 0.82 | KDM4E (0.32) | — | |
| SCHEMBL15454398 | 0.82 | CNR2 (0.38) | — | |
| SCHEMBL4577529 | 0.80 | KMT2A (0.38) | — | |
| SCHEMBL22644353 | 0.78 | APLNR (0.41) | — | |
| SCHEMBL22646894 | 0.78 | PKM (0.30) | — | |
| SCHEMBL4284742 | 0.74 | KDM4E (0.35) | — | |
| SCHEMBL2876463 | 0.72 | POLB (0.36) | — | |
| SCHEMBL22362793 | 0.71 | — | — | |
| SCHEMBL19991833 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL19991834 | 0.71 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200352925-A1 | AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES | JANSSEN PHARMACEUTICA NV (BE) | 2020-11-12 | — | — | US | disclosed |