SCHEMBL3881235

SCHEMBL3881235

NCC#CC(=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
SCHEMBL4454544 0.75
SCHEMBL4972765 0.73 TBXAS1 (0.38)
SCHEMBL9452503 0.73
SCHEMBL5201362 0.73
SCHEMBL6585974 0.71
SCHEMBL6014383 0.71 NFKB1 (0.42)
SCHEMBL19547960 0.69 TBXAS1 (0.48)
SCHEMBL8251231 0.69
SCHEMBL4973817 0.69
SCHEMBL9747513 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP claimed
EP-0533352-A2 Gaba receptor agonists to treat bladder instability LYNXVALE LIMITED (GB) 1993-03-24 EP claimed
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 US disclosed
US-20250180575-A1 HIGH EFFICIENCY LABELS FOR BIOMOLECULAR ANALYSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2025-06-05 US disclosed
WO-2023130098-A2 HIGH EFFICIENCY LABELS FOR BIOMOLECULAR ANALYSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-07-06 WO disclosed
US-9161922-B2 Amine oxidase inhibitors CASE WESTERN RESERVE UNIVERSITY (US) 2015-10-20 US disclosed
JP-2009143946-A SUBSTITUTED PROPARGYLETHEOXYAMIDO NUCLEOSIDE APPLIED BIOSYSTEMS INC 2009-07-02 JP disclosed
US-20090118238-A1 DEUTERIUM-ENRICHED ALENDRONATE PROTIA, LLC (US) 2009-05-07 US disclosed
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US disclosed
US-5770716-A CHAIN TERMINATING AND CHAIN EXTENDING NUCLEOTIDES, PRIMER EXTENSION REACTIONS, DNA SEQUENCING, POLYMERASE CHAIN REACTION THE PERKIN-ELMER CORPORATION (US) 1998-06-23 US disclosed
EP-0533352-A2 Gaba receptor agonists to treat bladder instability LYNXVALE LIMITED (GB) 1993-03-24 EP disclosed
US-RE31980-E INHIBITOR OF GAMMA-AMINOBUTYRIC ACID TRANSAMINASE MERRELL TORAUDE ET COMPAGNIE (FR) 1985-09-03 US disclosed
US-4326071-A ENZYME INHIBITORS AND ANTIBIOTICS MERRELL TORAUDE ET COMPAGNIE (FR) 1982-04-20 US disclosed
US-4187316-A ENZYME INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1980-02-05 US disclosed
US-4041041-A FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS MERRELL TORAUDE ET COMPAGNIE (FR) 1977-08-09 US disclosed
US-4039549-A INHIBITS CNS TRANSMITTERS MERRELL TORAUDE ET COMPAGNIE (FR) 1977-08-02 US disclosed
US-3960927-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS RICHARDSON-MERRELL INC. (US) 1976-06-01 US disclosed
US-3959356-A PHARMACOLOGY RICHARDSON-MERRELL INC. (US) 1976-05-25 US disclosed