⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3813678 | 1.00 | — | — | |
| SCHEMBL2186226 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL2186105 | 0.74 | — | — | |
| SCHEMBL3380539 | 0.74 | — | — | |
| SCHEMBL13046858 | 0.73 | — | — | |
| SCHEMBL3332242 | 0.73 | — | — | |
| SCHEMBL16878018 | 0.71 | CXCR4 (0.35) | — | |
| SCHEMBL25910764 | 0.67 | — | — | |
| SCHEMBL17122484 | 0.67 | — | — | |
| SCHEMBL8995159 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10294234-B2 | HIV inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2019-05-21 | — | — | US | disclosed |
| WO-2018145021-A1 | ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS | GILEAD SCIENCES, INC. (US) | 2018-08-09 | — | — | WO | disclosed |