⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16006449 | 0.81 | JAK2 (0.30) | — | |
| SCHEMBL17697521 | 0.79 | NPSR1 (0.31) | — | |
| SCHEMBL16154694 | 0.78 | — | — | |
| SCHEMBL14488052 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL14556095 | 0.66 | JAK2 (0.45) | — | |
| SCHEMBL649338 | 0.57 | — | — | |
| SCHEMBL1780791 | 0.57 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL28651140 | 0.57 | PTGDR2 (0.31) | — | |
| SCHEMBL22411972 | 0.56 | ALDH1A1 (0.31) | — | |
| SCHEMBL12806611 | 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-2016033243-A9 | ANTIRETROVIRAL AGENTS | GILEAD SCIENCES, INC. (US) | 2016-05-19 | — | — | WO | disclosed |