SCHEMBL1162065

SCHEMBL1162065

C1=CN[C](C2CCCC2)C=C1

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
SCHEMBL7853551 0.98 DAO (0.31)
SCHEMBL7853491 0.98 DAO (0.31)
SCHEMBL7854041 0.98 DAO (0.31)
SCHEMBL7854043 0.95
SCHEMBL8924457 0.68
SCHEMBL11554314 0.67
SCHEMBL7400825 0.67
SCHEMBL29577475 0.66 EPHX2 (0.34)
SCHEMBL7853323 0.65
SCHEMBL27783997 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115135655-B 1H-pyrazolo [4,3-d ] pyrimidine compounds as Toll-like receptor 7 (TLR 7) agonists 百时美施贵宝公司 2024-07-02 CN disclosed
US-20240165249-A1 MODIFIED SELF-IMMOLATING MOIETIES FOR USE IN PRODRUGS AND CONJUGATES AND METHODS OF USING AND MAKING BRISTOL-MYERS SQUIBB COMPANY 2024-05-23 US disclosed
CN-111201228-B 6-amino-7, 9-dihydro-8H-purin-8-one derivatives as Toll-like receptor 7 (TLR 7) agonists 百时美施贵宝公司 2024-04-09 CN disclosed
CN-111032657-B 6-amino-7, 9-dihydro-8H-purin-8-one derivatives as immunostimulant Toll-like receptor 7 (TLR 7) agonists 百时美施贵宝公司 2024-03-29 CN disclosed
US-11911483-B2 Modified self-immolating moieties for use in prodrugs and conjugates and methods of using and making BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-27 US disclosed
CN-111225918-B Toll-like receptor 7 (TLR 7) agonists with tricyclic moieties, conjugates thereof, methods and uses thereof 百时美施贵宝公司 2024-01-19 CN disclosed
US-20230348468-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-11-02 US disclosed
US-20230295346-A1 PRODRUGGABLE ANTIBODIES, PRODRUGS THEREOF, AND METHODS OF USE AND MAKING BRISTOL MYERS SQUIBB CO (US) 2023-09-21 US disclosed
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-11 US disclosed
US-20230140430-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-04 US disclosed
EP-1794137-A2 SPECIFIC KINASE INHIBITORS Kosan Biosciences, Inc. (US) 2007-06-13 EP disclosed
WO-2007033214-A2 ESTERS OF COMPOUNDS IN THE LEPTOMYCIN FAMILY KOSAN BIOSCIENCES INCORPORATED (US) 2007-03-22 WO disclosed
WO-2006127252-A1 MOTILIDE COMPOUNDS PFIZER, INC. (US) 2006-11-30 WO disclosed
US-20060270616-A1 Motilide compounds PFIZER INC. 2006-11-30 US disclosed
US-20060079494-A1 Specific kinase inhibitors KOSAN BIOSCIENCES INCORPORATED 2006-04-13 US disclosed
WO-2006036941-A2 SPECIFIC KINASE INHIBITORS KOSAN BIOSCIENCES INCORPORATED (US) 2006-04-06 WO disclosed
EP-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
EP-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO disclosed