SCHEMBL3381932

SCHEMBL3381932

O=C(O)CCNCl

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
SCHEMBL1666839 0.92 LMNA (0.40)
SCHEMBL3379761 0.82
SCHEMBL14545890 0.80
SCHEMBL372593 0.78 TSHR (0.60)
SCHEMBL11811606 0.78 TSHR (0.60)
SCHEMBL16360052 0.73 LMNA (0.53)
SCHEMBL109879 0.73 LMNA (0.53)
SCHEMBL5035377 0.71 LMNA (0.50)
SCHEMBL17433002 0.71 LMNA (0.50)
SCHEMBL4108574 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102176818-A Antimicrobial gel formulations NOVABAY PHARMACEUTICALS INC 2011-09-07 CN claimed
CN-101132785-A N-halogenated amino acids and N, N-dihalogenated amino acids in combination with hypohalous acids NOVABAY PHARMACEUTICALS INC (US) 2008-02-27 CN claimed
US-3991107-A Haloamine transfer NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1976-11-09 US claimed
US-3950536-A N,N-Dichloro substituted aminocarboxylic acids as bactericides and fungicides BARER SOL JOSEPH 1976-04-13 US claimed
US-20240091121-A1 PHOSPHONATES AND N-HALAMINES COMPOSITIONS FOR TARTAR REMOVAL O.Y.M. INNOVATION LTD. (IL) 2024-03-21 US disclosed
EP-4274539-A2 PHOSPHONATES AND N-HALAMINES COMPOSITIONS FOR TARTAR REMOVAL O.Y.M. Innovation Ltd. (IL) 2023-11-15 EP disclosed
CN-116710046-A Phosphonic acid and N-halamine compositions for tartar removal O.Y.M.创新有限公司 2023-09-05 CN disclosed
WO-2022149126-A2 PHOSPHONATES AND N-HALAMINES COMPOSITIONS FOR TARTAR REMOVAL O.Y.M. INNOVATION LTD. (IL) 2022-07-14 WO disclosed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
WO-2019173516-A1 SERINE THREONINE KINASE (AKT) DEGRADATION / DISRUPTION COMPOUNDS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-09-12 WO disclosed
WO-2012058133-A1 ISOINDOLINONE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
CN-102176818-A Antimicrobial gel formulations NOVABAY PHARMACEUTICALS INC 2011-09-07 CN disclosed
CN-1902158-B N,N-dihalogenated amino acids and derivatives NOVACAL PHARMACEUTICALS INC 2011-04-06 CN disclosed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed
CN-101132785-A N-halogenated amino acids and N, N-dihalogenated amino acids in combination with hypohalous acids NOVABAY PHARMACEUTICALS INC (US) 2008-02-27 CN disclosed
CN-1902158-A N,N-dihalogenated amino acids and derivatives NOVACAL PHARMACEUTICALS INC (US) 2007-01-24 CN disclosed