⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7455213 | 0.83 | ITGB3 (0.31) | — | |
| SCHEMBL4718414 | 0.81 | ITGB3 (0.33) | — | |
| SCHEMBL15517095 | 0.79 | BRD4 (0.39) | — | |
| SCHEMBL21994424 | 0.76 | — | — | |
| SCHEMBL21358281 | 0.75 | MAPT (0.47) | — | |
| SCHEMBL27736427 | 0.75 | NR1H2 (0.42) | — | |
| SCHEMBL16212100 | 0.75 | NOTUM (0.31) | — | |
| SCHEMBL3627250 | 0.72 | CTSK (0.38) | — | |
| SCHEMBL27701469 | 0.71 | — | — | |
| SCHEMBL22576573 | 0.68 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1978804-B1 | AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK SHARP & DOHME (US) | 2014-07-30 | — | — | EP | disclosed |
| US-8653059-B2 | Heterocyclic compounds as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME CORP. (US) | 2014-02-18 | — | — | US | disclosed |
| EP-2001883-B1 | AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK SHARP & DOHME (US) | 2012-04-18 | — | — | EP | disclosed |
| US-20110224195-A1 | HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK SHARP & DOHME CORP. | 2011-09-15 | — | — | US | disclosed |
| US-7750034-B2 | Aminocyclohexanes as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME CORP. (US) | 2010-07-06 | — | — | US | disclosed |
| US-7678905-B2 | Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME CORP. (US) | 2010-03-16 | — | — | US | disclosed |
| US-20090270467-A1 | Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes | MERCK & CO., INC. (US) | 2009-10-29 | — | — | US | disclosed |
| US-20070232676-A1 | Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME LLC | 2007-10-04 | — | — | US | disclosed |