SCHEMBL6837131

SCHEMBL6837131

CC(C)N(C(C)C)N(C(C)C#N)P(O)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
SCHEMBL8059804 0.71 TSHR (0.32)
SCHEMBL17225025 0.67
SCHEMBL17921762 0.65
SCHEMBL9150662 0.65 TSHR (0.47)
SCHEMBL8143350 0.64
SCHEMBL2559690 0.61 TSHR (0.41)
SCHEMBL6063708 0.59
SCHEMBL9054546 0.59 TSHR (0.39)
SCHEMBL9343649 0.57 TSHR (0.44)
SCHEMBL109553 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815212-B2 DETECTION OF LIGAND BINDING; OBTAIN SAMPLE, INCUBATE WITH LABEL, SEPARATE BOUND COMPLEXES, REMOVE LABEL, DETECT LABEL BY MASS SPECTROSCOPY QIAGEN GENOMICS, INC. 2004-11-09 US disclosed
EP-0998577-B1 CONJUGATES OF TRANSPORTER PEPTIDES AND NUCLEIC ACID ANALOGS, AND THEIR USE PERSEPTIVE BIOSYSTEMS INC (US) 2004-10-27 EP disclosed
WO-2003080645-A2 AMPLIFICATION OF NUCLEIC ACID FRAGMENTS USING NICKING AGENTS KECK GRADUATE INSTITUTE (US) 2003-10-02 WO disclosed
US-20030077595-A1 Methods and compositions for enhancing sensitivity in the analysis of biological-based assays QIAGEN GENOMICS, INC. 2003-04-24 US disclosed
EP-1222309-A4 HUMAN RNASE H AND OLIGONUCLEOTIDE COMPOSITIONS THEREOF ISIS PHARMACEUTICALS INC (US) 2002-12-04 EP disclosed
EP-1222309-A1 HUMAN RNASE H AND OLIGONUCLEOTIDE COMPOSITIONS THEREOF ISIS PHARMACEUTICALS, INC. (US) 2002-07-17 EP disclosed
US-6361940-B1 IMMOBILIZATION; GENETIC ENGINEERING QIAGEN GENOMICS, INC. 2002-03-26 US disclosed
WO-2001023618-A2 COMPOSITIONS AND METHODS FOR REDUCING OLIGONUCLEOTIDE HYBRIDIZATION AND PRIMING SPECIFICITY QIAGEN GENOMICS, INC. (US) 2001-04-05 WO disclosed
WO-2001023613-A1 HUMAN RNASE H AND OLIGONUCLEOTIDE COMPOSITIONS THEREOF ISIS PHARMACEUTICALS, INC. (US) 2001-04-05 WO disclosed
EP-1040352-A1 SOLID-PHASE TIPS AND USES RELATING THERETO Qiagen Genomics, Inc. (US) 2000-10-04 EP disclosed
US-6025140-A NUCLEIC ACID ANALOG CONJUGATED TO A PEPTIDE WITH A SPECIFIC AMINO ACID SEQUENCE BY A LABILE BOND; ANALOG TARGETS A SPECIFIC INTRACELLULAR POLYNUCLEOTIDE FOR ANTISENSE THERAPY PERSEPTIVE BIOSYSTEMS, INC. (US) 2000-02-15 US disclosed
WO-2000004189-A1 MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2000-01-27 WO disclosed
EP-0850320-B1 METHODS FOR DETECTING BINDING OF LIGAND PAIR WITH ENHANCED SENSITIVITY RAPIGENE INC (US) 1999-12-08 EP disclosed
EP-0962464-A2 Methods and compositions for detecting binding of ligand pair using non-fluorescent label Rapigene, Inc. (US) 1999-12-08 EP disclosed
EP-0952228-A2 Compositions and methods for enhancing hybridization specificity Rapigene, Inc. (US) 1999-10-27 EP disclosed
WO-1999034214-A1 SOLID-PHASE TIPS AND USES RELATING THERETO QIAGEN GENOMICS, INC (US) 1999-07-08 WO disclosed
WO-1999005302-A1 CONJUGATES OF TRANSPORTER PEPTIDES AND NUCLEIC ACID ANALOGS, AND THEIR USE THE PERKIN-ELMER CORPORATION (US) 1999-02-04 WO disclosed
EP-0850320-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL DARWIN MOLECULAR CORPORATION (US) 1998-07-01 EP disclosed
WO-1997027327-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL RAPIGENE, INC. (US) 1997-07-31 WO disclosed
WO-1995026359-A1 MACROMOLECULAR STRUCTURES FOR BORON NEUTRON-CAPTURE THERAPY REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-10-05 WO disclosed