⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29702769 | 0.87 | CYP3A4 (0.32) | — | |
| SCHEMBL12459117 | 0.87 | CYP3A4 (0.32) | — | |
| SCHEMBL29631828 | 0.87 | CYP3A4 (0.32) | — | |
| SCHEMBL19361211 | 0.83 | CYP3A4 (0.30) | — | |
| SCHEMBL13822287 | 0.78 | CYP3A4 (0.31) | — | |
| SCHEMBL29655269 | 0.78 | CYP3A4 (0.31) | — | |
| SCHEMBL12459505 | 0.78 | CYP3A4 (0.31) | — | |
| SCHEMBL12459119 | 0.77 | CYP3A4 (0.32) | — | |
| Lappalone SCHEMBL29554118 | 0.71 | PTPN1 (0.31) | — | |
| SCHEMBL10307513 | 0.66 | MEN1 (0.30) | — |
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-2011085979-A1 | USE OF TRICYCLIC SESQUITERPENE LACTONES IN THE TREATMENT OF OBESITY AND RELATED DISEASES AND NON-THERAPEUTIC TREATABLE CONDITIONS | INTERMED DISCOVERY GMBH (DE) | 2011-07-21 | — | — | WO | disclosed |