⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6590409 | 0.75 | — | — | |
| SCHEMBL2220312 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL10702462 | 0.70 | — | — | |
| SCHEMBL27667340 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL27600811 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL28440707 | 0.68 | ALDH1A1 (0.47) | — | |
| SCHEMBL9662778 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL2226558 | 0.67 | — | — | |
| SCHEMBL11482412 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL4803761 | 0.66 | TRPM8 (0.36) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104829608-B | A kind of cumarin thiazole indolone type compound and its preparation method and purposes | 吉首大学 | 2017-06-30 | — | — | CN | claimed |
| CN-104817552-B | (E) (base of cumarin 3) the hydrazide kind compound preparation method of thiazole 2 of N ' aryl methylenes 4 and purposes | 吉首大学 | 2017-06-27 | — | — | CN | claimed |
| US-8013153-B2 | Substituted pyrimidine kinase inhibitors | JANSSEN PHARMACEUTICA, N.V. (BE) | 2011-09-06 | — | — | US | claimed |
| US-20070254896-A1 | SUBSTITUTED PYRIMIDINE KINASE INHIBITORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2007-11-01 | — | — | US | claimed |
| WO-2007109783-A2 | SUBSTITUTED PYRIMIDINE KINASE INHIBITORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2007-09-27 | — | — | WO | claimed |
| CN-109265443-A | Heterocyclic compound and its application as ASK inhibitor | 南京圣和药业股份有限公司 | 2019-01-25 | — | — | CN | disclosed |
| CN-104736535-B | Heterocyclic modulators of HIF activity for treatment of disease | 德州大学系统董事会 | 2017-12-19 | — | — | CN | disclosed |
| EP-2844660-B1 | TRIAZOLOPYRIDAZINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF | SOUTHERN RES INST (US) | 2017-11-01 | — | — | EP | disclosed |
| CN-107266433-A | sGC stimulators | 铁木医药有限公司 | 2017-10-20 | — | — | CN | disclosed |
| CN-104829608-B | A kind of cumarin thiazole indolone type compound and its preparation method and purposes | 吉首大学 | 2017-06-30 | — | — | CN | disclosed |
| CN-104817552-B | (E) (base of cumarin 3) the hydrazide kind compound preparation method of thiazole 2 of N ' aryl methylenes 4 and purposes | 吉首大学 | 2017-06-27 | — | — | CN | disclosed |
| CN-103402515-B | sGC stimulators | 铁木医药有限公司 | 2017-05-17 | — | — | CN | disclosed |
| CN-105980382-A | Inhibitors of apoptosis signal-regulating kinases | 吉利德科学公司 | 2016-09-28 | — | — | CN | disclosed |
| EP-2844660-A1 | TRIAZOLOPYRIDAZINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF | Southern Research Institute (US) | 2015-03-11 | — | — | EP | disclosed |
| CN-103402515-A | Sgc stimulators | IRONWOOD PHARMACEUTICALS INC | 2013-11-20 | — | — | CN | disclosed |
| WO-2013166276-A1 | TRIAZOLOPYRIDAZINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF | SOUTHERN RESEARCH INSTITUTE (US) | 2013-11-07 | — | — | WO | disclosed |
| US-8013153-B2 | Substituted pyrimidine kinase inhibitors | JANSSEN PHARMACEUTICA, N.V. (BE) | 2011-09-06 | — | — | US | disclosed |
| US-20070254896-A1 | SUBSTITUTED PYRIMIDINE KINASE INHIBITORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2007-11-01 | — | — | US | disclosed |
| WO-2007109783-A2 | SUBSTITUTED PYRIMIDINE KINASE INHIBITORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2007-09-27 | — | — | WO | disclosed |