SCHEMBL6970105

SCHEMBL6970105

CC(C)(C)C/C=C\CCl

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
SCHEMBL6973390 1.00
SCHEMBL13456306 1.00
Fluoride SCHEMBL11521122 0.79 TSHR (0.33)
SCHEMBL8849847 0.78 TDP1 (0.40)
SCHEMBL8849854 0.78 TDP1 (0.40)
SCHEMBL13427201 0.75 TDP1 (0.36)
SCHEMBL11815994 0.75 TDP1 (0.42)
SCHEMBL11815618 0.75 TDP1 (0.42)
SCHEMBL8850465 0.73 TDP1 (0.35)
SCHEMBL8850461 0.73 TDP1 (0.35)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636737-A Alkyl functionalized column hexaaromatic hydrocarbon stationary phase, capillary gas chromatographic column, and preparation method and application thereof 洛阳师范学院 2023-01-24 CN claimed
CN-115636737-A Alkyl functionalized column hexaaromatic hydrocarbon stationary phase, capillary gas chromatographic column, and preparation method and application thereof 洛阳师范学院 2023-01-24 CN disclosed
US-8883758-B2 3,5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo and 3H-thiazolo[4,5-d]pyrimidin-2-one compounds and prodrugs thereof ANADYS PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-20130259831-A1 3,5-Disubstituted and 3,5,7-Trisubstituted-3H-Oxazolo and 3H-Thiazolo[4,5-d]pyrimidin-2-one Compounds and Prodrugs Thereof ANADYS PHARMACEUTICALS, INC. (US) 2013-10-03 US disclosed
US-20120121541-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-20120121541-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-8097718-B2 3,5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo and 3H-thiazolo[4,5-d]pyrimidin-2-one compounds and prodrugs thereof ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
US-20110275589-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS, INC. (US) 2011-11-10 US disclosed
US-7560544-B2 Immunomodulators; hepatitis C virus; 5-amino-3-(O-D-ribofuranosylthiazolo[4,5-d]pyrimidine-2,7(3H,6H) dione (7-thia-8-oxoguanosine) ANADYS PHARMACEUTICALS, INC. (US) 2009-07-14 US disclosed
US-7560544-B2 Immunomodulators; hepatitis C virus; 5-amino-3-(O-D-ribofuranosylthiazolo[4,5-d]pyrimidine-2,7(3H,6H) dione (7-thia-8-oxoguanosine) ANADYS PHARMACEUTICALS, INC. (US) 2009-07-14 US disclosed