⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11243243 | 1.00 | — | — | |
| SCHEMBL14295531 | 0.85 | — | — | |
| SCHEMBL15502041 | 0.80 | — | — | |
| SCHEMBL19242737 | 0.80 | — | — | |
| SCHEMBL12834104 | 0.80 | — | — | |
| SCHEMBL5441693 | 0.79 | — | — | |
| SCHEMBL22909964 | 0.77 | — | — | |
| SCHEMBL20663904 | 0.74 | — | — | |
| SCHEMBL12394120 | 0.74 | — | — | |
| SCHEMBL24512614 | 0.74 | — | — |
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-20170057928-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | GILEAD SCIENCES, INC. | 2017-03-02 | — | — | US | disclosed |