⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28284191 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28907100 | 0.92 | — | — | |
| SCHEMBL15612914 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL28506550 | 0.86 | — | — | |
| SCHEMBL20934798 | 0.77 | — | — | |
| SCHEMBL24946340 | 0.75 | SLC6A4 (0.36) | — | |
| SCHEMBL21843741 | 0.75 | SLC6A4 (0.36) | — | |
| SCHEMBL25450283 | 0.74 | — | — | |
| SCHEMBL20033753 | 0.74 | — | — | |
| SCHEMBL25450260 | 0.72 | — | — |
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-20160024004-A1 | NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-01-28 | — | — | US | disclosed |