⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5339401 | 0.79 | RAPGEF4 (0.41) | — | |
| SCHEMBL16838140 | 0.79 | RAPGEF4 (0.33) | — | |
| SCHEMBL19157044 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL16876690 | 0.77 | RAPGEF4 (0.40) | — | |
| SCHEMBL15076834 | 0.75 | CYP1A2 (0.35) | — | |
| SCHEMBL15076461 | 0.71 | ADRA2B (0.30) | — | |
| SCHEMBL15076828 | 0.71 | LMNA (0.31) | — | |
| SCHEMBL15076679 | 0.69 | — | — | |
| SCHEMBL9355053 | 0.67 | HDAC3 (0.30) | — | |
| SCHEMBL15277107 | 0.67 | RAPGEF4 (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 |
|---|---|---|---|---|---|---|---|
| WO-2013096744-A1 | HEPATITIS B ANTIVIRAL AGENTS | NOVIRA THERAPEUTICS, INC. (US) | 2013-06-27 | — | — | WO | disclosed |