⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6290064 | 0.80 | PDCD1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL210189 | 0.79 | HAVCR2 (0.35) | — | |
| SCHEMBL19153082 | 0.69 | PARP1 (0.34) | — | |
| SCHEMBL1916066 | 0.68 | HTR2C (0.41) | — | |
| SCHEMBL17380152 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL2756447 | 0.67 | — | — | |
| SCHEMBL10281378 | 0.65 | HAVCR2 (0.47) | — | |
| SCHEMBL23732125 | 0.62 | HAVCR2 (0.36) | — | |
| SCHEMBL8271578 | 0.61 | PARP1 (0.54) | — | |
| SCHEMBL2222491 | 0.61 | HAVCR2 (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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021032209-A1 | ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF | 四川海思科制药有限公司 | 2021-02-25 | — | — | WO | disclosed |
| EP-2315768-B1 | THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS | UCB BIOPHARMA SPRL (BE) | 2017-08-09 | — | — | EP | disclosed |
| WO-2015192714-A1 | PYRROLOIMIDAZOLE RING DERIVATIVE AND MEDICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2015-12-23 | — | — | WO | disclosed |
| 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 |
| 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-8637491-B2 | Thieno-pyridine derivatives as MEK inhibitors | UCB PHARMA S.A. (BE) | 2014-01-28 | — | — | US | disclosed |
| US-20110172191-A1 | THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS | UCB PHARMA S.A. (BE) | 2011-07-14 | — | — | 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-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-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-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-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-20090270467-A1 | Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes | MERCK & CO., INC. (US) | 2009-10-29 | — | — | US | disclosed |
| WO-2007087231-A2 | AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2007-08-02 | — | — | WO | disclosed |