⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3938413 | 0.94 | — | — | |
| SCHEMBL15500507 | 0.88 | — | — | |
| SCHEMBL2688792 | 0.87 | — | — | |
| SCHEMBL789662 | 0.87 | — | — | |
| SCHEMBL9801988 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL900224 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL1831137 | 0.81 | — | — | |
| SCHEMBL914170 | 0.81 | — | — | |
| SCHEMBL31337396 | 0.76 | SCD (0.41) | — | |
| SCHEMBL6539087 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1381593-A2 | (2-HYDROXY)ETHYL-THIOUREAS USEFUL AS MODULATORS OF ALPHA2B ADRENERGIC RECEPTORS | Allergan, Inc. (US) | 2004-01-21 | — | — | EP | disclosed |
| US-6534542-B2 | For alleviating chronic pain and allodynia and have no or only minimal cardivascular and/or sedatory activity | ALLERGEN SALES, INC. | 2003-03-18 | — | — | US | disclosed |
| US-20020161051-A1 | (2-hydroxy)ethyl-thioureas useful as modulators of alpha2B adrenergic receptors | ALLERGAN SALES, INC. | 2002-10-31 | — | — | US | disclosed |
| WO-2002068384-A2 | (2-HYDROXY)ETHYL-THIOUREAS USEFUL AS MODULATORS OF ALPHA2B ADRENERGIC RECEPTORS | ALLERGAN, INC. (US) | 2002-09-06 | — | — | WO | disclosed |