⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31391255 | 1.00 | — | — | |
| SCHEMBL22991069 | 1.00 | — | — | |
| SCHEMBL28719587 | 0.80 | — | — | |
| SCHEMBL18050089 | 0.80 | — | — | |
| SCHEMBL5515534 | 0.80 | GAA (0.31) | — | |
| Hydrochloric Acid SCHEMBL28569549 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28713148 | 0.78 | — | — | |
| SCHEMBL27909541 | 0.75 | CHRNA7 (0.32) | — | |
| SCHEMBL207706 | 0.75 | — | — | |
| SCHEMBL17180333 | 0.75 | — | — |
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-2017106556-A1 | TANK-BINDING KINASE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2017-06-22 | — | — | WO | disclosed |