⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13448658 | 0.90 | KDM4E (0.65) | — | |
| SCHEMBL14533055 | 0.90 | — | — | |
| SCHEMBL18122821 | 0.87 | KDM4E (0.63) | — | |
| SCHEMBL7870008 | 0.84 | KDM4E (0.59) | — | |
| SCHEMBL807124 | 0.84 | KDM4E (1.00) | — | |
| SCHEMBL18122804 | 0.84 | KDM4E (0.59) | — | |
| SCHEMBL13817485 | 0.82 | KDM4E (0.57) | — | |
| SCHEMBL10280093 | 0.82 | KDM4E (0.57) | — | |
| SCHEMBL14367300 | 0.80 | KDM4E (0.55) | — | |
| SCHEMBL4844845 | 0.77 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2863916-B1 | SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS | MERCK SHARP & DOHME (US) | 2018-07-18 | — | — | EP | disclosed |
| US-9845292-B2 | Selective FKBP51 ligands for treatment of psychiatric disorders | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2017-12-19 | — | — | US | disclosed |
| EP-3083597-B1 | FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS | GRUENENTHAL GMBH (DE) | 2017-11-22 | — | — | EP | disclosed |
| US-20160289186-A1 | FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III | GRUENENTHAL GMBH (DE) | 2016-10-06 | — | — | US | disclosed |
| US-20160289184-A1 | SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS | HAUSCH, FELIX (DE) | 2016-10-06 | — | — | US | disclosed |
| US-9376418-B2 | Substituted pyridine spleen tyrosine kinase (SYK) inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-06-28 | — | — | US | disclosed |
| WO-2015090603-A1 | FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III | Grünenthal GmbH (DE) | 2015-06-25 | — | — | WO | disclosed |
| US-20150148327-A1 | SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS | MERCK CANADA INC. (CA) | 2015-05-28 | — | — | US | disclosed |
| EP-2225238-B1 | DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES | BOEHRINGER INGELHEIM INT (DE) | 2014-09-03 | — | — | EP | disclosed |
| US-20100305093-A1 | Inhibitors of mTOR and Methods of Making and Using | EXELIXIS, INC. (US) | 2010-12-02 | — | — | US | disclosed |
| WO-2010118208-A1 | BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER | EXELIXIS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |
| US-20100216159-A1 | SWITCHABLE AFFINITY BINDERS | GENERAL ELECTRIC COMPANY (US) | 2010-08-26 | — | — | US | disclosed |