⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3645265 | 1.00 | — | — | |
| SCHEMBL15922361 | 1.00 | — | — | |
| SCHEMBL7743552 | 0.90 | — | — | |
| SCHEMBL7748978 | 0.90 | — | — | |
| SCHEMBL8892931 | 0.77 | HTR2A (0.41) | — | |
| SCHEMBL8500841 | 0.73 | — | — | |
| SCHEMBL8590887 | 0.70 | — | — | |
| SCHEMBL6455211 | 0.70 | — | — | |
| SCHEMBL8335298 | 0.70 | — | — | |
| SCHEMBL8016776 | 0.68 | SIGMAR1 (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-1011672-A4 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR ELICITING ANALGESIC EFFECTS | UNIV VIRGINIA COMMONWEALTH (US) | 2001-04-04 | — | — | EP | claimed |
| EP-1011672-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR ELICITING ANALGESIC EFFECTS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-06-28 | — | — | EP | claimed |
| WO-1999007369-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR ELICITING ANALGESIC EFFECTS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1999-02-18 | — | — | WO | claimed |