SCHEMBL543526

SCHEMBL543526

[CH]1CC2CCOC2O1

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
SCHEMBL2115404 0.76
SCHEMBL15345998 0.68
SCHEMBL15849491 0.68
SCHEMBL179699 0.68
SCHEMBL123556 0.68
SCHEMBL16689075 0.64
SCHEMBL2442957 0.62
SCHEMBL13369649 0.60
SCHEMBL2313043 0.60
SCHEMBL11054195 0.59 ALDH1A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186239-B1 ANTIRETROVIRAL AGENTS GILEAD SCIENCES INC (US) 2018-10-10 EP claimed
US-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 US claimed
EP-3186239-A1 ANTIRETROVIRAL AGENTS Gilead Sciences, Inc. (US) 2017-07-05 EP claimed
WO-2016033243-A9 ANTIRETROVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2016-05-19 WO claimed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 US claimed
WO-2016033243-A1 ANTIRETROVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2016-03-03 WO claimed
US-20090203742-A1 BROADSPECTRUM 2-AMINO-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS SURLERAUX DOMINIQUE LOIS NESTO 2009-08-13 US claimed
EP-1370543-B1 BROADSPECTRUM 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS TIBOTEC PHARM LTD (IE) 2006-10-25 EP claimed
US-20050267156-A1 Broadspectrum 2-amino-benzothiazole sulfonamide hiv protease inhibitors TIBOTEC PHARMACEUTICALS LTD. 2005-12-01 US claimed
EP-1545518-A1 BROADSPECTRUM 2-AMINO-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2005-06-29 EP claimed
US-20040116485-A1 Broad spectrum 2-(substituted-amino)-benzothiazole sulfonamide hiv protease inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-06-17 US claimed
WO-2004014371-A1 BROADSPECTRUM 2-AMINO-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-02-19 WO claimed
EP-1370543-A2 BROADSPECTRUM 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2003-12-17 EP claimed
WO-2002083657-A2 BROADSPECTRUM 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2002-10-24 WO claimed
US-20210276967-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2021-09-09 US disclosed
WO-2021147697-A1 SIDEROPHORE-DIHYDROFOLATE REDUCTASE INHIBITOR CONJUGATE AND APPLICATION THEREOF 嘉圣生物医药(嘉兴)有限公司 2021-07-29 WO disclosed
EP-3823957-A1 INHIBITORS OF HEPATITIS B VIRUS Ospedale San Raffaele S.r.l. (IT) 2021-05-26 EP disclosed
WO-2003049746-A2 COMBINATION OF CYTOCHOME P450 DEPENDENT PROTEASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2003-06-19 WO disclosed
WO-2003049746-A2 COMBINATION OF CYTOCHOME P450 DEPENDENT PROTEASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2003-06-19 WO disclosed
WO-2003039454-A2 BETA-SECRETASE INHIBITORS AND METHODS OF USE OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2003-05-15 WO disclosed