⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24899765 | 0.61 | — | — | |
| SCHEMBL14399426 | 0.61 | — | — | |
| SCHEMBL19446440 | 0.56 | — | — | |
| SCHEMBL20445428 | 0.56 | ALDH1A1 (0.30) | — | |
| SCHEMBL21423111 | 0.53 | — | — | |
| SCHEMBL23507867 | 0.53 | — | — | |
| SCHEMBL8264883 | 0.53 | — | — | |
| SCHEMBL5555 | 0.52 | — | — | |
| SCHEMBL17378031 | 0.52 | — | — | |
| SCHEMBL40927 | 0.52 | — | — |
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-2016058080-A1 | FLUORO-CHLORO BISPHENOL ETHER COMPOUNDS AND METHODS FOR THEIR USE | BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) | 2016-04-21 | — | — | WO | disclosed |