⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28665045 | 0.77 | FDPS (0.35) | — | |
| SCHEMBL30825785 | 0.77 | ALDH1A1 (0.49) | — | |
| SCHEMBL24494973 | 0.75 | RAB9A (0.53) | — | |
| SCHEMBL22360534 | 0.75 | RAB9A (0.53) | — | |
| SCHEMBL22360513 | 0.72 | CA1 (0.33) | — | |
| SCHEMBL22360524 | 0.72 | PTGS2 (0.32) | — | |
| SCHEMBL22360605 | 0.66 | — | — | |
| SCHEMBL13451482 | 0.64 | USP2 (0.40) | — | |
| SCHEMBL28340601 | 0.63 | OPRD1 (0.40) | — | |
| SCHEMBL28662663 | 0.61 | FDPS (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3924361-B1 | NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LTD (IN) | 2023-09-06 | — | — | EP | disclosed |
| WO-2020165741-A1 | NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2020-08-20 | — | — | WO | disclosed |