⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29278684 | 0.83 | — | — | |
| SCHEMBL163513 | 0.73 | — | — | |
| SCHEMBL113928 | 0.73 | — | — | |
| SCHEMBL15141903 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL3818241 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL7500908 | 0.70 | — | — | |
| Bromide SCHEMBL4007319 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL2784565 | 0.70 | — | — | |
| SCHEMBL21100089 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL2187615 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1869025-A1 | PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-12-26 | — | — | EP | disclosed |
| WO-2006112464-A1 | PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-10-26 | — | — | WO | disclosed |
| US-6630485-B2 | For therapy of inflammatory disease | SYNTEX (U.S.A.) LLC | 2003-10-07 | — | — | US | disclosed |
| US-6479507-B2 | MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES | SYNTEX (U.S.A.) LLC | 2002-11-12 | — | — | US | disclosed |
| US-6316464-B1 | P38 MAP kinase inhibitors | SYNTEX (U.S.A.) LLC | 2001-11-13 | — | — | US | disclosed |
| US-6127381-A | A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY | LION BIOSCIENCE AG (DE) | 2000-10-03 | — | — | US | disclosed |