⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10307515 | 0.70 | — | — | |
| SCHEMBL18180877 | 0.70 | MEN1 (0.30) | — | |
| SCHEMBL18180937 | 0.68 | — | — | |
| SCHEMBL18180886 | 0.66 | — | — | |
| SCHEMBL18180936 | 0.65 | — | — | |
| SCHEMBL18180911 | 0.64 | MEN1 (0.31) | — | |
| SCHEMBL12459119 | 0.63 | CYP3A4 (0.32) | — | |
| SCHEMBL18180939 | 0.62 | — | — | |
| SCHEMBL30174115 | 0.62 | MAPK1 (0.42) | — | |
| SCHEMBL10307511 | 0.62 | MAPK1 (0.42) | — |
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-2016169573-A1 | SESQUITERPENE LACTONES AS POTENT AND BROAD SPECTRUM ANTIVIRAL COMPOUNDS AGAINST ALL GENOTYPES OF HEPATITIS C VIRUS (HCV) | ELSEBAI MAHMOUD FAHMI (EG) | 2016-10-27 | — | — | WO | disclosed |