⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2483956 | 0.94 | PLA2G7 (0.31) | — | |
| SCHEMBL2483885 | 0.82 | MAPT (0.34) | — | |
| SCHEMBL2506578 | 0.80 | MCL1 (0.31) | — | |
| SCHEMBL2481064 | 0.79 | PLA2G7 (0.33) | — | |
| SCHEMBL2509504 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL2511932 | 0.72 | RECQL (0.31) | — | |
| SCHEMBL416328 | 0.71 | PPARD (0.37) | — | |
| SCHEMBL2510860 | 0.68 | — | — | |
| SCHEMBL414591 | 0.67 | NPC1 (0.41) | — | |
| SCHEMBL414720 | 0.67 | RPLP1 (0.44) | — |
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-2010066847-A1 | NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS | CELLVIR (FR) | 2010-06-17 | — | — | WO | claimed |