⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL211702 | 0.83 | — | — | |
| SCHEMBL6702966 | 0.76 | — | — | |
| SCHEMBL11322416 | 0.72 | — | — | |
| SCHEMBL1227353 | 0.70 | — | — | |
| SCHEMBL5029308 | 0.70 | — | — | |
| SCHEMBL672872 | 0.67 | CYP2C19 (0.39) | — | |
| SCHEMBL21433659 | 0.65 | — | — | |
| SCHEMBL6702961 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL5523524 | 0.64 | — | — | |
| SCHEMBL17720551 | 0.63 | CA1 (0.30) | — |
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 38 patents — showing the first 20. 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-106164076-A | As be replaced the 4 of ROS1 inhibitor, 5,6,7 tetrahydro-pyrazoles also [1,5 a] pyrazines derivatives and 5,6,7,8 tetrahydrochysene 4H pyrazolo [1,5 a] [Isosorbide-5-Nitrae] diazacyclo heptantriene derivants | 詹森药业有限公司 | 2016-11-23 | — | — | CN | disclosed |
| US-8362243-B2 | Method for selective localization of active agents at and in mitochondria and corresponding active agents | UGICHEM GESELLSCHAFT FUER ORGANISCHE CHEMIE MBH (AT) | 2013-01-29 | — | — | US | disclosed |
| EP-1004143-B1 | CHARGE GENERATORS IN HETEROLAMELLAR MULTILAYER THIN FILMS | UNIV SOUTHERN CALIFORNIA (US) | 2012-09-05 | — | — | EP | disclosed |
| US-8089681-B2 | Electrochromic device based on layer by layer deposition | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2012-01-03 | — | — | US | disclosed |
| EP-1697790-B1 | ELECTROCHROMIC MATERIAL | LG CHEMICAL LTD (KR) | 2011-08-31 | — | — | EP | disclosed |
| EP-2287937-A2 | Charge generators in heterolamellar multilayer thin films | The University of Southern California (US) | 2011-02-23 | — | — | EP | disclosed |
| US-7864397-B2 | Curable electrolyte | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2011-01-04 | — | — | US | disclosed |
| US-20100255183-A1 | ELECTROCHROMIC DEVICE BASED ON LAYER BY LAYER DEPOSITION | 3M INNOVATIVE PROPERTIES COMPANY | 2010-10-07 | — | — | US | disclosed |
| US-7764416-B2 | Electrochromic device based on layer by layer deposition | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2010-07-27 | — | — | US | disclosed |
| EP-0871985-A4 | HETEROLAMELLAR PHOTOVOLTAIC FILMS | UNIV PRINCETON (US) | 1999-06-09 | — | — | EP | disclosed |
| US-5874573-A | Compounds with chelation affinity and selectivity for first transition series elements: use in medical therapy | CONCAT, INC. (US) | 1999-02-23 | — | — | US | disclosed |
| WO-1999003154-A1 | CHARGE GENERATORS IN HETEROLAMELLAR MULTILAYER THIN FILMS | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 1999-01-21 | — | — | WO | disclosed |
| EP-0871985-A1 | HETEROLAMELLAR PHOTOVOLTAIC FILMS | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1998-10-21 | — | — | EP | disclosed |
| EP-0841951-A2 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS, AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS | CONCAT LTD. (US) | 1998-05-20 | — | — | EP | disclosed |
| US-5695890-A | PHOTOELECTRODE COMPRISING CHARGE TRANSFER COMPLEX; REDOX CATALYSTS | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1997-12-09 | — | — | US | disclosed |
| WO-1997001360-A9 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS | — | 1997-07-17 | — | — | WO | disclosed |
| WO-1997024775-A1 | HETEROLAMELLAR PHOTOVOLTAIC FILMS | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1997-07-10 | — | — | WO | disclosed |
| US-5599639-A | Acid-modified polybenzimidazole fuel cell elements | HOECHST CELANESE CORPORATION (US) | 1997-02-04 | — | — | US | disclosed |
| WO-1997001360-A2 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS | CONCAT, LTD. (US) | 1997-01-16 | — | — | WO | disclosed |