⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2784195 | 0.75 | — | — | |
| SCHEMBL8038677 | 0.75 | — | — | |
| SCHEMBL3466774 | 0.73 | — | — | |
| SCHEMBL15125208 | 0.69 | — | — | |
| SCHEMBL31730235 | 0.67 | — | — | |
| SCHEMBL9551103 | 0.65 | — | — | |
| SCHEMBL16377750 | 0.65 | — | — | |
| SCHEMBL16938505 | 0.63 | — | — | |
| SCHEMBL3238223 | 0.60 | — | — | |
| SCHEMBL3311447 | 0.60 | — | — |
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-2016041082-A1 | CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME | CDRD Ventures, Inc. (CA) | 2016-03-24 | — | — | WO | disclosed |