SCHEMBL6728630

SCHEMBL6728630

CCC(C#N)CO

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
SCHEMBL28224235 0.81 ALDH1A1 (0.31)
SCHEMBL1852845 0.81
SCHEMBL533350 0.81
Acetonitrile SCHEMBL1847343 0.79 TSHR (0.32)
SCHEMBL8956889 0.78
SCHEMBL3804825 0.78
SCHEMBL28653199 0.76
SCHEMBL2535365 0.76
SCHEMBL5408873 0.76
SCHEMBL18923179 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108164479-A A kind of preparation method of dinotefuran intermediate 3- amino methyl tetrahydrofurans 河北辉科生物技术有限公司 2018-06-15 CN claimed
WO-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed
CN-111032669-B Orthoester compositions for affinity purification of oligonucleotides 安捷伦科技有限公司 2024-03-29 CN disclosed
US-20230322742-A1 ORTHOESTER COMPOSITIONS FOR AFFINITY PURIFICATION OF OLIGONUCLEOTIDES AGILENT TECHNOLOGIES, INC. 2023-10-12 US disclosed
US-20230122968-A1 ORTHOESTER COMPOSITIONS FOR AFFINITY PURIFICATION OF OLIGONUCLEOTIDES AGILENT TECHNOLOGIES, INC. 2023-04-20 US disclosed
US-11548876-B2 Orthoester compositions for affinity purification of oligonucleotides AGILENT TECHNOLOGIES, INC. (US) 2023-01-10 US disclosed
US-11299483-B2 Orthoester compositions for affinity purification of oligonucleotides AGILENT TECHNOLOGIES, INC. (US) 2022-04-12 US disclosed
US-20200190129-A1 ORTHOESTER COMPOSITIONS FOR AFFINITY PURIFICATION OF OLIGONUCLEOTIDES AGILENT TECHNOLOGIES, INC. 2020-06-18 US disclosed
US-20200181124-A1 ORTHOESTER COMPOSITIONS FOR AFFINITY PURIFICATION OF OLIGONUCLEOTIDES AGILENT TECHNOLOGIES, INC. 2020-06-11 US disclosed
CN-108164479-A A kind of preparation method of dinotefuran intermediate 3- amino methyl tetrahydrofurans 河北辉科生物技术有限公司 2018-06-15 CN disclosed
EP-0493601-A1 LIQUID-CRYSTAL COPOLYMER, PRODUCTION THEREOF, DIENE COMPOUND USED IN SAID PRODUCTION, AND PRODUCTION OF SAID COMPOUND IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-07-08 EP disclosed
EP-0442306-A2 (4E-cyclohexyl-3-butenyl)phenyl derivatives F. Hoffmann-La Roche AG (CH) 1991-08-21 EP disclosed
EP-0441213-A2 Chiral dioxolanes F. HOFFMANN-LA ROCHE AG (CH) 1991-08-14 EP disclosed
US-5032312-A Liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-07-16 US disclosed
EP-0410233-A2 (4-Arylbutyl) cyclohexane derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-01-30 EP disclosed
US-4954600-A HIGH SPEED DISPLAY IDEMITSU KOSAN CO., LTD. (JP) 1990-09-04 US disclosed
EP-0362714-A2 Liquid-crystalline compounds and liquid-crystalline polymers IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-04-11 EP disclosed
EP-0348873-A2 Ferroelectric liquid-crystalline polymer and epoxide usable for preparing the ferroelectric liquid-crystalline polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-01-03 EP disclosed
US-4877858-A FERROELECTRICAL HIG SPEED RESPONSE; DISPLAYS IDEMETSU KOSAN CO., LTD. (JP) 1989-10-31 US disclosed
EP-0274128-A2 Liquid-crystalline polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-07-13 EP disclosed