⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2483598 | 0.85 | RXFP1 (0.33) | — | |
| SCHEMBL2487639 | 0.77 | HTR7 (0.34) | — | |
| SCHEMBL2487823 | 0.77 | PRNP (0.32) | — | |
| SCHEMBL417292 | 0.67 | TP53 (0.37) | — | |
| SCHEMBL414451 | 0.63 | BCHE (0.46) | — | |
| SCHEMBL2486080 | 0.63 | NPC1 (0.37) | — | |
| SCHEMBL417291 | 0.62 | L3MBTL1 (0.39) | — | |
| SCHEMBL417417 | 0.61 | ACHE (0.48) | — | |
| SCHEMBL414416 | 0.61 | ACHE (0.48) | — | |
| SCHEMBL415612 | 0.61 | ACHE (0.48) | — |
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-2376431-A1 | NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS | LABORATOIRE BIODIM (FR) | 2011-10-19 | — | — | EP | disclosed |
| 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 | disclosed |