⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7916455 | 0.91 | — | — | |
| SCHEMBL7929347 | 0.82 | TDO2 (0.34) | — | |
| SCHEMBL7928168 | 0.81 | GRM5 (0.30) | — | |
| SCHEMBL7926491 | 0.81 | DRD2 (0.35) | — | |
| SCHEMBL7923439 | 0.80 | GABRA1 (0.32) | — | |
| SCHEMBL7929924 | 0.80 | MAOA (0.32) | — | |
| SCHEMBL7920609 | 0.79 | BACE1 (0.33) | — | |
| SCHEMBL12203535 | 0.79 | HCRTR1 (0.31) | — | |
| SCHEMBL7929337 | 0.79 | MAP4K4 (0.33) | — | |
| SCHEMBL7927662 | 0.78 | ADRA1A (0.35) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8569312-B2 | Biaryl-spiroaminooxzaoline analogues as alpha 2C adrenergic receptor modulators | MERCK SHARP & DOHME CORP. (US) | 2013-10-29 | — | — | US | disclosed |
| US-8569312-B2 | Biaryl-spiroaminooxzaoline analogues as alpha 2C adrenergic receptor modulators | MERCK SHARP & DOHME CORP. (US) | 2013-10-29 | — | — | US | disclosed |
| US-20130225582-A1 | BIARYL-SPIROAMINOOXZAOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2013-08-29 | — | — | US | disclosed |
| US-8476274-B2 | Biaryl spiroaminooxazoline analogues as Alpha2C adrenergic receptor modulators | MERCK SHARP & DOHME CORP. (US) | 2013-07-02 | — | — | US | disclosed |
| US-8476274-B2 | Biaryl spiroaminooxazoline analogues as Alpha2C adrenergic receptor modulators | MERCK SHARP & DOHME CORP. (US) | 2013-07-02 | — | — | US | disclosed |
| US-20130045914-A1 | BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP (US) | 2013-02-21 | — | — | US | disclosed |
| US-20130045914-A1 | BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP (US) | 2013-02-21 | — | — | US | disclosed |
| US-8324213-B2 | Biaryl-spiroaminooxazoline analogues as alpha 2C adrenergic receptor modulators | MERCK SHARP & DOHME CORP. (US) | 2012-12-04 | — | — | US | disclosed |
| US-8324213-B2 | Biaryl-spiroaminooxazoline analogues as alpha 2C adrenergic receptor modulators | MERCK SHARP & DOHME CORP. (US) | 2012-12-04 | — | — | US | disclosed |
| US-20110251207-A1 | BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-10-13 | — | — | US | disclosed |
| US-20110251207-A1 | BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-10-13 | — | — | US | disclosed |
| WO-2010042473-A1 | BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS | SCHERING CORPORATION (US) | 2010-04-15 | — | — | WO | disclosed |