⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7523277 | 0.81 | — | — | |
| SCHEMBL28101641 | 0.81 | LMNA (0.33) | — | |
| SCHEMBL7526074 | 0.81 | — | — | |
| SCHEMBL7515494 | 0.81 | — | — | |
| SCHEMBL7515496 | 0.81 | — | — | |
| SCHEMBL7523374 | 0.81 | — | — | |
| SCHEMBL4137037 | 0.79 | LMNA (0.39) | — | |
| SCHEMBL7523290 | 0.79 | — | — | |
| SCHEMBL7524378 | 0.79 | — | — | |
| SCHEMBL7516698 | 0.79 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106164076-B | Compound as ROS1 inhibitor | 詹森药业有限公司 | 2019-03-26 | — | — | CN | disclosed |
| CN-104744491-B | Benzo oxazepine * PI3K inhibitor compounds and application method | 霍夫曼-拉罗奇有限公司 | 2017-07-11 | — | — | CN | disclosed |
| EP-3129376-A1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS | Janssen Pharmaceutica, N.V. (BE) | 2017-02-15 | — | — | EP | disclosed |
| WO-2015144799-A1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2015-10-01 | — | — | WO | disclosed |
| CN-102762574-A | Benzoxapi 3K inhibitor compounds and methods of use | HOFFMANN LA ROCHE | 2012-10-31 | — | — | CN | disclosed |
| CN-102762576-A | Benzoxazepine PI3K inhibitor compounds and methods of use | HOFFMANN LA ROCHE | 2012-10-31 | — | — | CN | disclosed |
| WO-2007083097-A1 | LIVING RADICAL POLYMERISATION PROCESS | WARWICK EFFECT POLYMERS LTD. (GB) | 2007-07-26 | — | — | WO | disclosed |
| EP-1243581-B1 | Pyridinium compounds useful for the treatment of AGE-related diseases | TORRENT PHARMACEUTICALS LTD (IN) | 2005-07-13 | — | — | EP | disclosed |
| CN-1186979-C | Retarding formulations of active substances used for plant protection | BASF AG (DE) | 2005-02-02 | — | — | CN | disclosed |
| EP-1373263-B1 | HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS | TORRENT PHARMACEUTICALS LTD (IN) | 2004-10-27 | — | — | EP | disclosed |
| WO-2002085897-A9 | HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS | SANKARANARAYANAN ALANGUDI (IN) | 2004-04-01 | — | — | WO | disclosed |
| EP-1373263-A1 | HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS | Torrent Pharmaceuticals Ltd (IN) | 2004-01-02 | — | — | EP | disclosed |
| EP-1304101-A1 | Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications | Torrent Pharmaceuticals Ltd (IN) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002085897-A1 | HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS | SANKARANARAYANAN ALANGUDI (IN) | 2002-10-31 | — | — | WO | disclosed |
| EP-1243581-A1 | Pyridinium compounds useful for the treatment of AGE-related diseases | Torrent Pharmaceuticals Ltd (IN) | 2002-09-25 | — | — | EP | disclosed |
| CN-1348331-A | Retarding formulations of active substances used for plant protection | BASF AG (DE) | 2002-05-08 | — | — | CN | disclosed |
| US-20010018524-A1 | Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation and therapeutic uses thereof | TORRENT PHARMACEUTICALS LTD. (IN) | 2001-08-30 | — | — | US | disclosed |