⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18474283 | 0.85 | — | — | |
| SCHEMBL9896127 | 0.81 | — | — | |
| SCHEMBL15159565 | 0.62 | — | — | |
| SCHEMBL9788057 | 0.60 | — | — | |
| SCHEMBL11383113 | 0.60 | ALDH1A1 (0.41) | — | |
| SCHEMBL9974633 | 0.60 | — | — | |
| SCHEMBL2058574 | 0.56 | — | — | |
| SCHEMBL9001120 | 0.52 | — | — | |
| SCHEMBL4485840 | 0.52 | — | — | |
| SCHEMBL1229936 | 0.52 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9638690-B2 | Compounds and compositions for use as alkylating agent sensors and methods of use thereof | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2017-05-02 | — | — | US | disclosed |