⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20159870 | 0.66 | — | — | |
| SCHEMBL27719435 | 0.60 | NOS2 (0.34) | — | |
| SCHEMBL6476378 | 0.55 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL19538924 | 0.55 | GPR3 (0.56) | — | |
| SCHEMBL16110137 | 0.54 | CCR5 (0.41) | — | |
| SCHEMBL2309435 | 0.53 | KDM4E (0.38) | — | |
| SCHEMBL12926006 | 0.53 | KDM5A (0.34) | — | |
| SCHEMBL16002393 | 0.53 | KDM5A (0.32) | — | |
| SCHEMBL12844283 | 0.52 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL11647113 | 0.51 | RAB9A (0.36) | — |
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-3919474-A1 | HBV INHIBITOR AND USE THEREOF | Xi'An Xintong Pharmaceutical Research Co., Ltd. (CN) | 2021-12-08 | — | — | EP | disclosed |