⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17465631 | 0.88 | PIK3CD (0.30) | — | |
| SCHEMBL18349435 | 0.80 | CNR1 (0.36) | — | |
| SCHEMBL21166012 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL12210666 | 0.75 | — | — | |
| SCHEMBL12712798 | 0.75 | — | — | |
| SCHEMBL2341047 | 0.75 | — | — | |
| SCHEMBL24239351 | 0.71 | — | — | |
| SCHEMBL21311577 | 0.71 | — | — | |
| SCHEMBL19342043 | 0.71 | — | — | |
| SCHEMBL21609980 | 0.71 | TSHR (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9938236-B2 | Antiviral agents against HBV infection | DREXEL UNIVERSITY (US) | 2018-04-10 | — | — | US | disclosed |
| US-20160376585-A1 | OLIGONUCLEOTIDE-LIGAND CONJUGATES AND PROCESS FOR THEIR PREPARATION | BANK OF AMERICA, N.A. | 2016-12-29 | — | — | US | disclosed |
| 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 |