SCHEMBL1412968

SCHEMBL1412968

[CH2]CCC(=O)C(C)C

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
SCHEMBL6198323 0.83
SCHEMBL7768260 0.81 CES2 (0.37)
SCHEMBL620412 0.81 CA1 (0.36)
SCHEMBL10882085 0.79 CES2 (0.40)
SCHEMBL27375102 0.78
SCHEMBL27874170 0.78
SCHEMBL11378383 0.76
SCHEMBL27636853 0.76
SCHEMBL1667685 0.75 CES2 (0.39)
SCHEMBL17992598 0.75 CES2 (0.44)

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 37 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-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-11993578-B2 Pyrazole-3-carboxylic acid amide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-05-28 US disclosed
US-11964957-B2 Pyrazole derivative and harmful organism-controlling agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-04-23 US disclosed
EP-3808738-B1 PYRAZOLE DERIVATIVE AND HARMFUL ORGANISM-CONTROLLING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2024-04-17 EP disclosed
WO-2023176458-A1 DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND 石原産業株式会社 2023-09-21 WO disclosed
CN-110612295-B Pyrazole-3-carboxylic acid amide derivative and pest control agent 组合化学工业株式会社 2023-07-14 CN disclosed
EP-3623365-B1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2023-01-04 EP disclosed
EP-0947516-A1 N-benzyl substituted, heterocyclic ring-fused pyrimidinone derivatives, their preparation and their use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-06 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed