⚠ 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL3780263 | 0.91 | MEN1 (0.38) | — | |
| Fumaric Acid SCHEMBL3780258 | 0.91 | MEN1 (0.38) | — | |
| SCHEMBL31285616 | 0.78 | BCL2L1 (0.36) | — | |
| SCHEMBL13524885 | 0.75 | HTR2A (0.38) | — | |
| SCHEMBL31285071 | 0.75 | BCL2L1 (0.33) | — | |
| SCHEMBL31284993 | 0.75 | BCL2L1 (0.33) | — | |
| SCHEMBL31284849 | 0.75 | BCL2L1 (0.33) | — | |
| SCHEMBL3780301 | 0.73 | CYP2A6 (0.31) | — | |
| SCHEMBL4828709 | 0.72 | — | — | |
| SCHEMBL13524880 | 0.72 | HTR2A (0.38) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2393800-B1 | PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS | ALLERGAN INC (US) | 2014-10-08 | — | — | EP | disclosed |
| EP-2393800-B1 | PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS | ALLERGAN INC (US) | 2014-10-08 | — | — | EP | disclosed |
| US-20110306635-A1 | PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND /OR ALPHA 2C ADRENERGIC RECEPTORS | ALLERGAN ,INC. (US) | 2011-12-15 | — | — | US | disclosed |
| US-20110306635-A1 | PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND /OR ALPHA 2C ADRENERGIC RECEPTORS | ALLERGAN ,INC. (US) | 2011-12-15 | — | — | US | disclosed |
| US-20110306635-A1 | PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND /OR ALPHA 2C ADRENERGIC RECEPTORS | ALLERGAN ,INC. (US) | 2011-12-15 | — | — | US | disclosed |
| EP-2393800-A1 | PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS | Allergan, Inc. (US) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010091209-A1 | PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS | ALLERGAN, INC. (US) | 2010-08-12 | — | — | WO | disclosed |
| WO-2010091209-A1 | PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS | ALLERGAN, INC. (US) | 2010-08-12 | — | — | WO | disclosed |
| US-20080221152-A1 | 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS | ALLERGAN, INC. (US) | 2008-09-11 | — | — | US | disclosed |
| US-20080221152-A1 | 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS | ALLERGAN, INC. (US) | 2008-09-11 | — | — | US | disclosed |
| US-20080221152-A1 | 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS | ALLERGAN, INC. (US) | 2008-09-11 | — | — | US | disclosed |
| US-7399868-B2 | 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists | ALLERGAN, INC. (US) | 2008-07-15 | — | — | US | disclosed |
| US-7399868-B2 | 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists | ALLERGAN, INC. (US) | 2008-07-15 | — | — | US | disclosed |
| US-7399868-B2 | 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists | ALLERGAN, INC. (US) | 2008-07-15 | — | — | US | disclosed |
| EP-1791832-A1 | 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS | Allergan, Inc. (US) | 2007-06-06 | — | — | EP | disclosed |
| WO-2006036507-A1 | 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS | ALLERGAN, INC. (US) | 2006-04-06 | — | — | WO | disclosed |
| US-20060069143-A1 | 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists | ALLERGAN, INC. | 2006-03-30 | — | — | US | disclosed |