⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17138524 | 0.93 | — | — | |
| SCHEMBL1001976 | 0.82 | — | — | |
| SCHEMBL12683408 | 0.82 | — | — | |
| SCHEMBL14917365 | 0.82 | — | — | |
| SCHEMBL3166096 | 0.71 | — | — | |
| SCHEMBL6983208 | 0.71 | CCR2 (0.46) | — | |
| SCHEMBL1927815 | 0.71 | — | — | |
| SCHEMBL5573637 | 0.71 | — | — | |
| SCHEMBL198981 | 0.71 | — | — | |
| SCHEMBL1091811 | 0.71 | — | — |
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-2017070793-A1 | NOVEL FLUORINATED HETEROCYCLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS | TRILLIUM THERAPEUTICS INC. (CA) | 2017-05-04 | — | — | WO | disclosed |