⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18180916 | 0.80 | UBE2D3 (0.36) | — | |
| SCHEMBL18180938 | 0.72 | SERPINE1 (0.34) | — | |
| SCHEMBL18180919 | 0.68 | MEN1 (0.34) | — | |
| SCHEMBL18180918 | 0.63 | MEN1 (0.33) | — | |
| SCHEMBL18180912 | 0.63 | MEN1 (0.33) | — | |
| SCHEMBL18180915 | 0.61 | MEN1 (0.32) | — | |
| SCHEMBL18180878 | 0.58 | DYRK1A (0.40) | — | |
| SCHEMBL19903744 | 0.53 | SERPINE1 (0.63) | — | |
| SCHEMBL18180877 | 0.51 | MEN1 (0.30) | — | |
| SCHEMBL3654334 | 0.51 | SERPINE1 (0.86) | — |
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 |