SCHEMBL3507641

SCHEMBL3507641

C=C(C)C(=O)C(Br)[C]=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
SCHEMBL7089722 0.73
SCHEMBL14047454 0.73
SCHEMBL5090365 0.67
SCHEMBL1579955 0.67 ALDH1A1 (0.32)
SCHEMBL255878 0.64
SCHEMBL33887 0.62 TDP1 (0.35)
SCHEMBL1017270 0.61
SCHEMBL4816778 0.61 TDP1 (0.40)
SCHEMBL3679158 0.61
SCHEMBL28813862 0.61 TDP1 (0.47)

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-11065341-B2 DE-N-acetyl sialic acid antigens, antibodies thereto, and methods of use in cancer therapy CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) 2021-07-20 US disclosed
US-20180154016-A1 DE-N-Acetyl Sialic Acid Antigens, Antibodies Thereto, and Methods of Use in Cancer Therapy CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND 2018-06-07 US disclosed
US-9872921-B2 DE-N-acetyl sialic acid antigens, antibodies thereto, and methods of use in cancer therapy CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) 2018-01-23 US disclosed
EP-1976554-B1 DE-N-ACETYL SIALIC ACID ANTIGENS, ANTIBODIES THERETO, AND METHODS OF USE IN CANCER THERAPY CHILDRENS HOSP & RES CT OAK (US) 2016-11-16 EP disclosed
US-20160184450-A1 DE-N-Acetyl Sialic Acid Antigens, Antibodies Thereto, and Methods of Use in Cancer Therapy CHILDREN'S HOSPITAL & RESEARCH CENTER OAKLAND 2016-06-30 US disclosed
US-9089513-B2 De-N-acetyl sialic acid antigens, antibodies thereto, and methods of use in cancer therapy CHILDREN'S HOSPITAL & RESEARCH CENTER OAKLAND (US) 2015-07-28 US disclosed
US-20120219560-A1 DE-N-Acetyl Sialic Acid Antigens, Antibodies Thereto, and Methods of Use in Cancer Therapy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-08-30 US disclosed
US-20100260762-A1 De-N-acetyl sialic acid antigens, antibodies thereto, and methods of use in cancer therapy CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND 2010-10-14 US disclosed
EP-1976554-A2 DE-N-ACETYL SIALIC ACID ANTIGENS, ANTIBODIES THERETO, AND METHODS OF USE IN CANCER THERAPY Children's Hospital & Research Center at Oakland (US) 2008-10-08 EP disclosed
WO-2007075921-A2 DE-N-ACETYL SIALIC ACID ANTIGENS, ANTIBODIES THERETO, AND METHODS OF USE IN CANCER THERAPY CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) 2007-07-05 WO disclosed