⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8762172 | 0.88 | — | — | |
| SCHEMBL4445768 | 0.80 | — | — | |
| SCHEMBL24445622 | 0.79 | — | — | |
| SCHEMBL18929726 | 0.77 | — | — | |
| SCHEMBL93261 | 0.72 | — | — | |
| SCHEMBL8764086 | 0.72 | — | — | |
| SCHEMBL27910654 | 0.67 | — | — | |
| SCHEMBL23130393 | 0.67 | — | — | |
| SCHEMBL8764006 | 0.65 | — | — | |
| SCHEMBL11214348 | 0.65 | TSHR (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170087118-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF CANCERS | XLINK THERAPEUTICS, INC. | 2017-03-30 | — | — | US | disclosed |
| US-9556214-B2 | Compounds, compositions, and methods for the treatment of cancers | PLACON THERAPEUTICS, INC. (US) | 2017-01-31 | — | — | US | disclosed |
| US-20150344511-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF CANCERS | BLEND THERAPEUTICS, INC. (US) | 2015-12-03 | — | — | US | disclosed |