SCHEMBL5166118

SCHEMBL5166118

CN1C#CN(C)CC1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5161862 0.96
SCHEMBL22013905 0.62
SCHEMBL6902250 0.60
SCHEMBL26702 0.57
SCHEMBL7051483 0.57
SCHEMBL1069 0.53
Hydrochloric Acid SCHEMBL1775781 0.53
SCHEMBL151183 0.53 CYP1A2 (0.47)
SCHEMBL20427518 0.53
SCHEMBL8629808 0.53

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575929-B1 THE METHOD FOR PRODUCTION OF SEMI-FINISHED PRODUCTS USEFUL IN SYNTHESIS OF PACLITAXEL AGROPHARM S A (PL) 2007-03-21 EP claimed
US-20230322761-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-11745147-B2 Curable poly(RTIL)-based mixed-matrix membranes and methods using same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2023-09-05 US disclosed
US-20230203019-A1 Piperazine Cyclic Ureas SIRONAX (BEIJING) CO., LTD. (CN) 2023-06-29 US disclosed
EP-4159735-A1 MACROCYCLIC JAK INHIBITOR AND USE THEREOF Biopolar Hongye (Guangdong) Pharmaceutical Co. Ltd (CN) 2023-04-05 EP disclosed
US-11548868-B2 Heterocyclic compounds, compositions comprising heterocyclic compound, and methods of use thereof JS INNOPHARM (SHANGHAI) LTD. (CN) 2023-01-10 US disclosed
US-20220387926-A1 COMPOSITIONS AND METHODS FOR CARBON DIOXIDE CAPTURE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-12-08 US disclosed
EP-4098647-A1 DISUBSTITUTED ADAMANTYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR SUPPRESSING CANCER GROWTH COMPRISING SAME AS ACTIVE INGREDIENT Onecuregen Co., Ltd. (KR) 2022-12-07 EP disclosed
US-20220220128-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2022-07-14 US disclosed
EP-3774310-B1 METHOD FOR MAKING SILICONE HYDROGEL CONTACT LENSES ALCON INC (CH) 2022-07-06 EP disclosed
US-7605143-B2 2-propynyl adenosine analogs with modified 5′-ribose groups having A2A agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-10-20 US disclosed
US-20090253647-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION AND ADENOSINE THERAPEUTICS, L.L.C. 2009-10-08 US disclosed
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 US disclosed
US-7427606-B2 Method to reduce inflammatory response in transplanted tissue UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-09-23 US disclosed
US-7396825-B2 Agonists of A2A adenosine receptors for treatment of diabetic nephropathy UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-07-08 US disclosed
US-20070232559-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-04 US disclosed
US-7214665-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-05-08 US disclosed
EP-1575929-B1 THE METHOD FOR PRODUCTION OF SEMI-FINISHED PRODUCTS USEFUL IN SYNTHESIS OF PACLITAXEL AGROPHARM S A (PL) 2007-03-21 EP disclosed
EP-1575929-A1 THE METHOD FOR PRODUCTION OF SEMI-FINISHED PRODUCTS USEFUL IN SYNTHESIS OF PACLITAXEL Agropharm S.A. (PL) 2005-09-21 EP disclosed
WO-2004056790-A1 THE METHOD FOR PRODUCTION OF SEMI-FINISHED PRODUCTS USEFUL IN SYNTHESIS OF PACLITAXEL AGROPHARM S.A. (PL) 2004-07-08 WO disclosed