⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3380800 | 1.00 | — | — | |
| SCHEMBL2732750 | 0.76 | FFAR3 (0.32) | — | |
| SCHEMBL3379381 | 0.73 | — | — | |
| SCHEMBL10800090 | 0.71 | FFAR3 (0.37) | — | |
| SCHEMBL13619921 | 0.67 | — | — | |
| SCHEMBL14061763 | 0.59 | KDM1A (0.35) | — | |
| SCHEMBL9358438 | 0.59 | FFAR3 (0.32) | — | |
| SCHEMBL11752653 | 0.59 | CYP2C19 (0.39) | — | |
| SCHEMBL1033587 | 0.59 | — | — | |
| SCHEMBL243671 | 0.59 | — | — |
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-2120555-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | Heller, Adam (US) | 2009-11-25 | — | — | EP | claimed |
| WO-2008094664-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2008-08-07 | — | — | WO | claimed |
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | disclosed |