⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16478655 | 0.76 | — | — | |
| SCHEMBL16478703 | 0.76 | — | — | |
| SCHEMBL8299941 | 0.76 | — | — | |
| SCHEMBL11292473 | 0.73 | — | — | |
| SCHEMBL26427796 | 0.71 | — | — | |
| SCHEMBL25286689 | 0.70 | BRD4 (0.30) | — | |
| SCHEMBL12784532 | 0.67 | TSHR (0.41) | — | |
| SCHEMBL10127432 | 0.67 | TSHR (0.41) | — | |
| SCHEMBL8297563 | 0.65 | KMT2A (0.39) | — | |
| SCHEMBL2048268 | 0.65 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8058292-B2 | Therapeutic agents useful for treating pain | PURDUE PHARMA L.P. (US) | 2011-11-15 | — | — | US | disclosed |
| US-8058292-B2 | Therapeutic agents useful for treating pain | PURDUE PHARMA L.P. (US) | 2011-11-15 | — | — | US | disclosed |
| US-20100256111-A1 | THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN | PURDUE PHARMA L.P. (US) | 2010-10-07 | — | — | US | disclosed |
| US-20100256111-A1 | THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN | PURDUE PHARMA L.P. (US) | 2010-10-07 | — | — | US | disclosed |
| US-7767699-B2 | Therapeutic agents useful for treating pain | PURDUE PHARMA, L.P. (US) | 2010-08-03 | — | — | US | disclosed |
| US-7767699-B2 | Therapeutic agents useful for treating pain | PURDUE PHARMA, L.P. (US) | 2010-08-03 | — | — | US | disclosed |
| EP-1641775-B1 | 2-PYRIDINE ALKYNE DERIVATIVES USEFUL FOR TREATING PAIN | EURO CELTIQUE SA (LU) | 2009-02-18 | — | — | EP | disclosed |
| WO-2005007641-A1 | 2-PYRIDINE ALKYNE DERIVATIVES USEFUL FOR TREATING PAIN | EURO-CELTIQUE S.A. (LU) | 2005-01-27 | — | — | WO | disclosed |