SCHEMBL7716898

SCHEMBL7716898

CC[CH]NC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
CA2 P00918 2/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA3 P07451 2/20 0.35
CA5A P35218 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
FAAH O00519 8/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES1 P23141 5/20 0.32
CES2 O00748 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL1000784 0.84 EPHX1 (0.42) EPHX1CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL7708913 0.81 EPHX1 (0.48) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL420349 0.79 EPHX1 (0.52) EPHX1ALDH1A1MEN1KMT2AFAAH
SCHEMBL1556988 0.77 L3MBTL1 (0.36) POLBL3MBTL1CYP1A2
SCHEMBL5629194 0.74
SCHEMBL14157935 0.73 CA2 (0.50) EPHX1CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL446732 0.73
Alcohol SCHEMBL6036955 0.72 CA2 (0.43) EPHX1CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL555475 0.70
SCHEMBL28366741 0.70 EPHX1 (0.42) EPHX1CA2ALDH1A1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115942939-A Diastereomer ligation reagents for nucleotide probes 布伦塔诺生物技术联合公司 2023-04-07 CN disclosed
WO-2021061154-A1 DIASTEREOMERIC LINKING REAGENTS FOR NUCLEOTIDE PROBES BRENTANO BIOTECHNOLOGY ASSOCIATES (US) 2021-04-01 WO disclosed
US-6369101-B1 Therapeutic method to treat herpes virus infection REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-04-09 US disclosed
US-6031091-A WITH PROTECTING GROUPS WHICH MAY BE REMOVED FOR COUPLING TO ANOTHER NUCLEOTIDE; FOR HYBRIDIZATION PROBES WITH ENHANCED SENSITIVITY GEN-PROBE INCORPORATED (US) 2000-02-29 US disclosed
WO-1998034603-A1 USE OF BETULIN AND ANALOGS THEREOF TO TREAT HERPESVIRUS INFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-08-13 WO disclosed
US-5696251-A OLIGONUCLEOTIDES GEN-PROBE INCORPORATED (US) 1997-12-09 US disclosed
US-5656744-A COMPLEXING GEN-PROBE INCORPORATED (US) 1997-08-12 US disclosed
US-5585481-A VERSATILITY; NON-NUCLEOTIDE MONOMERIC UNIT HAVING A LIGAND AND FIRST AND SECOND COUPLING GROUPS WHICH ARE LINKED TO THE NON-NUCLEOTIDE MONOMERIC UNIT ; LABELS, INTERCALATORS, PROBES GEN-PROBE INCORPORATED (US) 1996-12-17 US disclosed
EP-0313219-B1 Non-nucleotide linking reagents for nucleotide probes GEN PROBE INC (US) 1996-05-08 EP disclosed
EP-0313219-A2 Non-nucleotide linking reagents for nucleotide probes GEN-PROBE INCORPORATED (US) 1989-04-26 EP disclosed
WO-1989002439-A1 NON-NUCLEOTIDE LINKING REAGENTS FOR NUCLEOTIDE PROBES ML TECHNOLOGY VENTURES, L.P. (US) 1989-03-23 WO disclosed