⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2049728 | 0.75 | — | — | |
| SCHEMBL3826627 | 0.75 | — | — | |
| SCHEMBL29770643 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28430002 | 0.70 | — | — | |
| SCHEMBL15004521 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL20338348 | 0.70 | — | — | |
| SCHEMBL24740787 | 0.70 | — | — | |
| SCHEMBL12735789 | 0.69 | GCGR (0.30) | — | |
| SCHEMBL2742987 | 0.69 | — | — | |
| SCHEMBL25401888 | 0.69 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023125737-A1 | HETEROCYCLIC COMPOUNDS AND USE THEREOF | SILEXON AI TECHNOLOGY CO., LTD. (CN) | 2023-07-06 | — | — | WO | disclosed |
| US-9434721-B2 | Therapeutic agents useful for treating pain | PURDUE PHARMA L.P. (US) | 2016-09-06 | — | — | US | disclosed |
| US-20140142112-A1 | THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN | PURDUE PHARMA L.P. (US) | 2014-05-22 | — | — | US | disclosed |
| US-8680118-B2 | Therapeutic agents useful for treating pain | PURDUE PHARMA L.P. (US) | 2014-03-25 | — | — | US | disclosed |
| US-8536177-B2 | Therapeutic agents useful for treating pain | PURDUE PHARMA L.P. (US) | 2013-09-17 | — | — | US | disclosed |
| WO-2011050160-A1 | PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME | BIOGEN IDEC MA INC. (US) | 2011-04-28 | — | — | WO | disclosed |
| US-7683063-B2 | Therapeutic agents useful for treating pain | PURDUE PHARMA L.P. (US) | 2010-03-23 | — | — | US | disclosed |
| US-7262194-B2 | Therapeutic agents useful for treating pain | EURO-CELTIQUE S.A. | 2007-08-28 | — | — | US | disclosed |
| US-20070027159-A1 | Therapeutic agents useful for treating pain | PURDUE PHARMA L.P. | 2007-02-01 | — | — | US | disclosed |
| WO-2004058754-A1 | BENZOAZOLYPIPERAZINE DERIVATIVES HAVING MGLUR1- AND MGLUR5-ANTAGONISTIC ACTIVITY | EURO-CELTIQUE S.A. (LU) | 2004-07-15 | — | — | WO | disclosed |