⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20862129 | 0.73 | — | — | |
| SCHEMBL21126081 | 0.73 | — | — | |
| SCHEMBL18432760 | 0.65 | ANPEP (0.30) | — | |
| SCHEMBL74466 | 0.65 | — | — | |
| SCHEMBL7826089 | 0.65 | — | — | |
| SCHEMBL8631296 | 0.64 | RNPEP (0.35) | — | |
| SCHEMBL23891998 | 0.63 | — | — | |
| SCHEMBL777443 | 0.63 | — | — | |
| SCHEMBL11192504 | 0.62 | NOS1 (0.33) | — | |
| SCHEMBL9835671 | 0.61 | — | — |
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-2120555-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | Heller, Adam (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008094664-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2008-08-07 | — | — | WO | disclosed |