⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5209222 | 0.95 | — | — | |
| SCHEMBL5209996 | 0.95 | — | — | |
| SCHEMBL5211909 | 0.92 | — | — | |
| SCHEMBL5212961 | 0.85 | — | — | |
| SCHEMBL5209303 | 0.81 | — | — | |
| SCHEMBL5209203 | 0.80 | GBA1 (0.31) | — | |
| SCHEMBL6600240 | 0.79 | — | — | |
| SCHEMBL5208985 | 0.78 | — | — | |
| SCHEMBL6601593 | 0.77 | — | — | |
| SCHEMBL5211505 | 0.77 | NOS1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1388540-B1 | ACRYLIC ESTERS AND USE THEREOF | MITSUI CHEMICALS INC (JP) | 2007-09-05 | — | — | EP | disclosed |
| EP-1263745-B1 | SUBSTITUTED 3-PHENYL-5-ALKOXI-1,3,4-OXDIAZOL-2-ONE AND USE THEREOF FOR INHIBITING HORMONE-SENSITIVE LIPASE | AVENTIS PHARMA GMBH (DE) | 2004-05-19 | — | — | EP | disclosed |
| EP-1388540-A1 | ACRYLIC ESTERS AND USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2004-02-11 | — | — | EP | disclosed |