SCHEMBL462522

SCHEMBL462522

O=[N+]([O-])CC1OB(O)c2c(OCCCO)cc(Cl)cc21

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
SCHEMBL469426 0.86 HTR2C (0.32)
SCHEMBL455916 0.86 LARS1 (0.42)
SCHEMBL5019560 0.83
SCHEMBL461517 0.83 NAAA (0.31)
Hydrochloric Acid SCHEMBL2679898 0.82
SCHEMBL469427 0.81
SCHEMBL460717 0.78 LARS1 (0.51)
SCHEMBL16706966 0.72 TP53 (0.35)
SCHEMBL1498849 0.72
SCHEMBL5019552 0.72 TP53 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110664756-B Trauma spray for children and preparation method thereof 吉林大学 2020-11-17 CN claimed
CN-110664756-A Trauma spray for children and preparation method thereof 吉林大学 2020-01-10 CN claimed
US-11008345-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-11008345-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
CN-108610356-B Benzoxaborole derivatives for the treatment of bacterial infections 阿纳科制药公司 2021-02-26 CN disclosed
CN-110664756-B Trauma spray for children and preparation method thereof 吉林大学 2020-11-17 CN disclosed
CN-110664756-B Trauma spray for children and preparation method thereof 吉林大学 2020-11-17 CN disclosed
CN-110664756-A Trauma spray for children and preparation method thereof 吉林大学 2020-01-10 CN disclosed
CN-110664756-A Trauma spray for children and preparation method thereof 吉林大学 2020-01-10 CN disclosed
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2019-11-14 US disclosed
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2019-11-14 US disclosed
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-8703742-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
EP-2613788-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2013-07-17 EP disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2012033858-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-03-15 WO disclosed
WO-2012033858-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-03-15 WO disclosed