⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3993844 | 0.95 | KDM4E (0.36) | — | |
| SCHEMBL3991295 | 0.92 | KDM4E (0.34) | — | |
| SCHEMBL3990539 | 0.92 | KDM4E (0.34) | — | |
| SCHEMBL5758641 | 0.69 | UHRF1 (0.34) | — | |
| SCHEMBL5761227 | 0.69 | UHRF1 (0.34) | — | |
| SCHEMBL1313095 | 0.67 | — | — | |
| SCHEMBL13444 | 0.61 | NPC1 (0.36) | — | |
| SCHEMBL31126014 | 0.60 | — | — | |
| SCHEMBL35277 | 0.60 | — | — | |
| SCHEMBL3993781 | 0.59 | NPC1 (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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070123510-A1 | Guanidine derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2007-05-31 | — | — | US | claimed |
| US-10442819-B2 | Tricyclic compounds as inhibitors of mutant IDH enzymes | MERCK SHARP & DOHME CORP. (US) | 2019-10-15 | — | — | US | disclosed |
| EP-3052099-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2019-08-21 | — | — | EP | disclosed |
| EP-2563123-B1 | NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2018-04-25 | — | — | EP | disclosed |
| US-20170360800-A1 | NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES | MERCK SHARP & DOHME CORP. (US) | 2017-12-21 | — | — | US | disclosed |
| US-20170362220-A1 | NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES | MERCK SHARP & DOHME CORP. (US) | 2017-12-21 | — | — | US | disclosed |
| WO-2017106062-A1 | NOVEL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-06-22 | — | — | WO | disclosed |
| EP-2595483-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2017-03-22 | — | — | EP | disclosed |
| US-9486448-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2016-11-08 | — | — | US | disclosed |
| US-9486448-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2016-11-08 | — | — | US | disclosed |
| WO-2011025774-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | WO | disclosed |
| US-20110028461-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2011-02-03 | — | — | US | disclosed |
| US-20110028461-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2011-02-03 | — | — | US | disclosed |
| US-20110028481-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. | 2011-02-03 | — | — | US | disclosed |
| US-20110028481-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. | 2011-02-03 | — | — | US | disclosed |
| WO-2010129326-A1 | PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-11-11 | — | — | WO | disclosed |
| WO-2009123870-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2009-10-08 | — | — | WO | disclosed |
| WO-2009124167-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2009-10-08 | — | — | WO | disclosed |
| US-7544691-B2 | Guanidine derivatives | ACTELION PHARMACEUTICALS, LTD. (CH) | 2009-06-09 | — | — | US | disclosed |
| US-20070123510-A1 | Guanidine derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2007-05-31 | — | — | US | disclosed |