SCHEMBL1412971

SCHEMBL1412971

C[CH]CCC(C)=O

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
SCHEMBL10413411 0.80
SCHEMBL673248 0.79
SCHEMBL13478466 0.79
SCHEMBL673247 0.79
SCHEMBL11009268 0.78 ALDH1A1 (0.56)
SCHEMBL11009265 0.78 ALDH1A1 (0.56)
SCHEMBL10131694 0.76 ALDH1A1 (0.41)
SCHEMBL294122 0.75
SCHEMBL301539 0.75
SCHEMBL1650009 0.75 ALDH1A1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038181-A1 CHEMICALLY SUBSTITUTED THERMOSENSITIVE PROBES AND COFACTORS FOR HOT START LIGATION TRILINK BIOTECHNOLOGIES, INC. 2014-02-06 US claimed
US-8361753-B2 Phosphotriester-modified oligonucleotide primers for nucleic acid amplification TRILINK BIOTECHNOLOGIES, INC. (US) 2013-01-29 US claimed
WO-2012094343-A1 CHEMICALLY SUBSTITUTED THERMOSENSITIVE PROBES AND COFACTORS FOR HOT START LIGATION TRILINK BIOTECHNOLOGIES (US) 2012-07-12 WO claimed
EP-2032714-B1 CHEMICALLY MODIFIED OLIGONUCLEOTIDE PRIMERS FOR NUCLEIC ACID AMPLIFICATION TRILINK BIOTECHNOLOGIES (US) 2011-03-16 EP claimed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP claimed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US claimed
EP-2032714-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDE PRIMERS FOR NUCLEIC ACID AMPLIFICATION TriLink BioTechnologies (US) 2009-03-11 EP claimed
WO-2007139723-A1 CHEMICALLYMODIFIED OLIGONUCLEOTIDE PRIMERS FOR NUCLEIC ACID AMPLIFICATION TRILINK BIOTECHNOLOGIES (US) 2007-12-06 WO claimed
US-20070281308-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDE PRIMERS FOR NUCLEIC ACID AMPLIFICATION TRILINK BIOTECHNOLOGIES, LLC 2007-12-06 US claimed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US claimed
CN-1809570-A [1,2,4] triazolo [1, 5-a ] pyrimidin-2-ylurea derivatives and uses thereof NIPPON KAYAKU KK (JP) 2006-07-26 CN claimed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP claimed
EP-3842550-A1 METHOD FOR ANALYZING FUNCTIONAL SUBUNIT PAIR GENE OF T CELL RECEPTOR AND B CELL RECEPTOR Repertoire Genesis Incorporation (JP) 2021-06-30 EP disclosed
CN-111018811-A Method for preparing α -chloro- α -acetyl-gamma-butyrolactone 江西天新药业股份有限公司 2020-04-17 CN disclosed
WO-2020040302-A1 METHOD FOR ANALYZING FUNCTIONAL SUBUNIT PAIR GENE OF T CELL RECEPTOR AND B CELL RECEPTOR Repertoire Genesis株式会社 2020-02-27 WO disclosed
EP-3486321-A1 T-CELL RECEPTOR AND B-CELL RECEPTOR REPERTOIRE ANALYSIS SYSTEM USING ONE-STEP REVERSE TRANSCRIPTION TEMPLATE-SWITCHING PCR Riken (JP) 2019-05-22 EP disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
CN-1809570-A [1,2,4] triazolo [1, 5-a ] pyrimidin-2-ylurea derivatives and uses thereof NIPPON KAYAKU KK (JP) 2006-07-26 CN disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP disclosed
EP-0219257-A2 Esters of dihydrolysergic acid ELI LILLY AND COMPANY (US) 1987-04-22 EP disclosed