⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18180930 | 0.73 | — | — | |
| SCHEMBL18180922 | 0.73 | — | — | |
| SCHEMBL18180923 | 0.66 | TLR4 (0.30) | — | |
| SCHEMBL18180875 | 0.61 | PTGIR (0.31) | — | |
| SCHEMBL10307520 | 0.51 | MAPT (0.35) | — | |
| SCHEMBL22305507 | 0.49 | PKM (0.41) | — | |
| SCHEMBL16622155 | 0.48 | — | — | |
| SCHEMBL2567260 | 0.47 | — | — | |
| SCHEMBL16930988 | 0.46 | GBA1 (0.47) | — | |
| SCHEMBL331879 | 0.45 | — | — |
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 |