⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL830542 | 1.00 | — | — | |
| SCHEMBL17407746 | 0.75 | — | — | |
| Propane SCHEMBL28618954 | 0.72 | — | — | |
| SCHEMBL2825581 | 0.72 | — | — | |
| SCHEMBL9793411 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL39400 | 0.72 | — | — | |
| SCHEMBL28520590 | 0.71 | — | — | |
| SCHEMBL22183447 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL24245403 | 0.71 | — | — | |
| SCHEMBL19576182 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9963482-B2 | Phosphatidylinositol-3-kinase inhibitor and pharmaceutical composition | TOHOKU UNIVERSITY (JP) | 2018-05-08 | — | — | US | disclosed |
| WO-2018081556-A1 | PHARMACEUTICAL COMBINATIONS COMPRISING A HISTONE DEACETYLASE INHIBITOR AND EPOTHILONE AND METHODS OF USE THEREOF | ACETYLON PHARMACEUTICALS, INC. (US) | 2018-05-03 | — | — | WO | disclosed |