⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL694583 | 1.00 | — | — | |
| SCHEMBL694585 | 1.00 | — | — | |
| Perchlorate SCHEMBL10494950 | 0.91 | — | — | |
| SCHEMBL26093087 | 0.91 | — | — | |
| SCHEMBL19616823 | 0.91 | — | — | |
| Perchlorate SCHEMBL11496469 | 0.91 | — | — | |
| SCHEMBL4386484 | 0.72 | — | — | |
| SCHEMBL14802706 | 0.70 | — | — | |
| SCHEMBL1713705 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL974046 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013104546-A1 | PROCESS FOR THE SYNTHESIS OF ETORICOXIB | ALFRED E. TIEFENBACHER (GMBH & CO. KG) (DE) | 2013-07-18 | — | — | WO | disclosed |
| WO-2013105106-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF ETORICOXIB AND POLYMORPHS THEREOF | CADILA HEALTHCARE LIMITED (IN) | 2013-07-18 | — | — | WO | disclosed |
| US-20120115900-A1 | SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE | NEUROSEARCH A/S (DK) | 2012-05-10 | — | — | US | disclosed |
| EP-2421863-A1 | SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE | NeuroSearch AS (DK) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010122064-A1 | SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE | NEUROSEARCH A/S (DK) | 2010-10-28 | — | — | WO | disclosed |