SCHEMBL6355871

SCHEMBL6355871

O=[N+]([O-])CCCBr

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
SCHEMBL178226 0.88
SCHEMBL2761531 0.80
SCHEMBL719096 0.79 ALDH1A1 (0.67)
SCHEMBL1011508 0.79
SCHEMBL10496017 0.78 MEN1 (0.43)
SCHEMBL715302 0.76 ALDH1A1 (0.72)
SCHEMBL16341166 0.76 ALDH1A1 (0.72)
SCHEMBL9323936 0.76 ALDH1A1 (0.72)
SCHEMBL719520 0.76 ALDH1A1 (0.72)
SCHEMBL1311257 0.76 ALDH1A1 (0.72)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797413-B1 ANTI-MICROBIAL COMPOSITION BYOTROL PLC (GB) 2018-09-12 EP claimed
CN-107466207-A Antimicrobial compositions 拜奥特罗尔有限公司 2017-12-12 CN claimed
CN-104135858-B Antimicrobial compositions 拜奥特罗尔有限公司 2016-06-22 CN claimed
EP-2190962-B1 FORMULATIONS COMPRISING AN ANTI-MICROBIAL COMPOSITION BYOTROL PLC (GB) 2015-02-25 EP claimed
CN-104135858-A ANTI-MICROBIAL COMPOSITION BYOTROL PLC 2014-11-05 CN claimed
WO-2013061082-A1 ANTI-MICROBIAL COMPOSITION BYOTROL PLC (GB) 2013-05-02 WO claimed
CN-101802159-A Antimicrobial composition BYOTROL PLC 2010-08-11 CN claimed
EP-0596745-B1 Fingernail adhesive THREE BOND OF AMERICA INC (US) 1997-08-27 EP claimed
EP-0596745-A1 Fingernail adhesive THREE BOND OF AMERICA, INC. (US) 1994-05-11 EP claimed
EP-0338439-B1 A MICROBICIDAL/MICROBISTATIC COMPOSITION KATAYAMA CHEMICAL, INC. (JP) 1992-12-02 EP claimed
EP-0338440-B1 A MICROBICIDAL/MICROBISTATIC COMPOSITION FOR INDUSTRIAL USE KATAYAMA CHEMICAL, INC. (JP) 1992-04-15 EP claimed
US-5026723-A Water treatment, papermaking KATAYAMA CHEMICAL, INC. (JP) 1991-06-25 US claimed
US-4963586-A 2,2-DIBROMO-3-NITRILOPROPIONAMIDE AND NITROBROMOPROPANE DERIVATIVE; SYNERGISTIC KATAYAMA CHEMICAL, INC. (JP) 1990-10-16 US claimed
EP-0338440-A1 A microbicidal/microbistatic composition for industrial use KATAYAMA CHEMICAL, INC. (JP) 1989-10-25 EP claimed
EP-0338439-A1 A microbicidal/microbistatic composition KATAYAMA CHEMICAL, INC. (JP) 1989-10-25 EP claimed
JP-6264034-A None JP disclosed
CN-116643458-A Diamine compound, photosensitive polyimide resin composition, and preparation method and application thereof 吉林奥来德光电材料股份有限公司 2023-08-25 CN disclosed
US-RE30142-E FOR LUBRICANTS THE LUBRIZOL CORPORATION (US) 1979-11-06 US disclosed
US-4070385-A HYDRAULIC FLUID ADDITIVES THE LUBRIZOL CORPORATION (US) 1978-01-24 US disclosed
US-4026812-A HYDRAULIC FLUIDS, OIL IN WATER EMULSIONS THE LUBRIZOL CORPORATION (US) 1977-05-31 US disclosed