⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17308193 | 0.74 | — | — | |
| SCHEMBL15464969 | 0.69 | — | — | |
| SCHEMBL17306166 | 0.69 | — | — | |
| SCHEMBL14042979 | 0.60 | — | — | |
| SCHEMBL27433338 | 0.58 | — | — | |
| SCHEMBL17320486 | 0.58 | — | — | |
| SCHEMBL14993103 | 0.57 | TRPV1 (0.33) | — | |
| SCHEMBL27433419 | 0.56 | — | — | |
| SCHEMBL14042990 | 0.56 | — | — | |
| SCHEMBL17449347 | 0.56 | — | — |
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-2015187684-A1 | TANK-BINDING KINASE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2015-12-10 | — | — | WO | disclosed |