SCHEMBL4579554

SCHEMBL4579554

CNC(OC)=[N+](C)C.F[B-](F)(F)F.O=C1CCC(=O)N1O

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
SCHEMBL166978 0.78
SCHEMBL19932529 0.72
SCHEMBL275276 0.70
Hydrochloric Acid SCHEMBL5860637 0.67
SCHEMBL4579560 0.67
SCHEMBL525878 0.66
Methyl Alcohol SCHEMBL28183931 0.65 BRD4 (0.33)
SCHEMBL338264 0.65 KDM4E (0.34)
SCHEMBL785147 0.65
SCHEMBL1123 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230096149-A1 Reagents Useful for Synthesizing Rhodamine-Labeled Oligonucleotides APPLIED BIOSYSTEMS, LLC (US) 2023-03-30 US disclosed
US-20200270287-A1 Reagents Useful for Synthesizing Rhodamine-Labeled Oligonucleotides APPLIED BIOSYSTEMS, LLC (US) 2020-08-27 US disclosed
US-20180057516-A1 REAGENTS USEFUL FOR SYNTHESIZING RHODAMINE-LABELED OLIGONUCLEOTIDES APPLIED BIOSYSTEMS, LLC (US) 2018-03-01 US disclosed
US-9783560-B2 Reagents useful for synthesizing rhodamine-labeled oligonucleotides APPLIED BIOSYSTEMS, LLC (US) 2017-10-10 US disclosed
US-20150232494-A1 REAGENTS USEFUL FOR SYNTHESIZING RHODAMINE-LABELED OLIGONUCLEOTIDES APPLERA CORPORATION 2015-08-20 US disclosed
US-9040674-B2 Reagents useful for synthesizing rhodamine-labeled oligonucleotides APPLIED BIOSYSTEMS, LLC (US) 2015-05-26 US disclosed
EP-2001871-A2 REAGENTS USEFUL FOR SYNTHESIZING RHODAMINE-LABELED OLIGONUCLEOTIDES APPLIED BIOSYSTEMS, INC. (US) 2008-12-17 EP disclosed
US-20080071070-A1 Coupling with phosphoramidite reagent; solid phase synthesis APPLERA CORPORATION (US) 2008-03-20 US disclosed
WO-2007115265-A9 REAGENTS USEFUL FOR SYNTHESIZING RHODAMINE-LABELED OLIGONUCLEOTIDES APPLERA CORP (US) 2007-11-29 WO disclosed
WO-2007115265-A2 REAGENTS USEFUL FOR SYNTHESIZING RHODAMINE-LABELED OLIGONUCLEOTIDES APPLIED BIOSYSTEMS INC. (US) 2007-10-11 WO disclosed