⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1333105 | 0.77 | — | — | |
| SCHEMBL1334181 | 0.75 | — | — | |
| SCHEMBL1331826 | 0.75 | CYP2D6 (0.36) | — | |
| SCHEMBL896359 | 0.73 | AKR1C3 (0.38) | — | |
| SCHEMBL2742982 | 0.70 | CCNB2 (0.30) | — | |
| SCHEMBL1332998 | 0.68 | NOS3 (0.41) | — | |
| SCHEMBL5641820 | 0.67 | PDE3B (0.34) | — | |
| SCHEMBL30762127 | 0.67 | DYRK1A (0.31) | — | |
| SCHEMBL22497935 | 0.67 | ADRB2 (0.34) | — | |
| SCHEMBL22497968 | 0.67 | DYRK1A (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110281885-A1 | THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN | PURDUE PHARMA L.P. (US) | 2011-11-17 | — | — | US | disclosed |
| US-7799786-B2 | Therapeutic agents useful for treating pain | PURDUE PHARMA L.P. (US) | 2010-09-21 | — | — | US | disclosed |
| US-20080153835-A1 | Therapeutic agents useful for treating pain | EURO-CELTIQUE S.A. | 2008-06-26 | — | — | US | disclosed |
| EP-1556354-B1 | THERAPEUTIC PIPERAZINE DERIVATES USEFUL FOR TREATING PAIN | EURO CELTIQUE SA (LU) | 2008-01-23 | — | — | EP | disclosed |
| US-7279493-B2 | cyanoiminopiperazines which inhibit vanilloid receptor 1 function in a cell | EURO-CELTIQUE S.A. | 2007-10-09 | — | — | US | disclosed |