⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21679573 | 0.94 | — | — | |
| SCHEMBL14699481 | 0.84 | ALDH1A1 (0.34) | — | |
| SCHEMBL2363205 | 0.79 | — | — | |
| SCHEMBL3268667 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL27845055 | 0.78 | — | — | |
| SCHEMBL8346765 | 0.73 | — | — | |
| SCHEMBL7191321 | 0.72 | — | — | |
| SCHEMBL5084659 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL8602681 | 0.68 | — | — | |
| Dimethylamine SCHEMBL28057747 | 0.68 | — | — |
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-2002060972-A2 | ANTINEOPLASTIC POLYALKOXYALKYLSILOXANES AND METHODS OF USE THEREOF | NDSU RESEARCH FOUNDATION (US) | 2002-08-08 | — | — | WO | disclosed |