SCHEMBL2332842

SCHEMBL2332842

NC1C2=C(CCCC2)N(C(I)CCCCCCCCCCC(I)N2C3=C(CCCC3)C(N)c3ccccc32)c2ccccc21

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
SCHEMBL2336815 1.00
SCHEMBL2335384 0.85
SCHEMBL2330958 0.85
SCHEMBL7945043 0.71 AADAT (0.40)
SCHEMBL7674465 0.70 CDC25A (0.44)
SCHEMBL7946306 0.69 HRH3 (0.34)
SCHEMBL10403793 0.69 HTR2A (0.30)
Hydrochloric Acid SCHEMBL10404126 0.68
Hydrochloric Acid SCHEMBL7946351 0.67
SCHEMBL7944450 0.66 ALOX12 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150196652-A1 NUCLEIC ACID COMPLEXES PROCARTA BIOSYSTEMS LTD (GB) 2015-07-16 US disclosed
US-9024005-B2 Nucleic acid complexes PROCARTA BIOSYSTEMS LTD (GB) 2015-05-05 US disclosed
US-20140274800-A1 TRANSCRIPTION FACTOR DECOYS FOR THE TREATMENT AND PREVENTION OF INFECTIONS CAUSED BY BACTERIA INCLUDING CLOSTRIDIUM DIFFICILE PROCARTA BIOSYSTEMS LTD. (GB) 2014-09-18 US disclosed
US-20130252881-A1 Transcription Factor Decoys PROCARTA BIOSYSTEMS LTD. (GB) 2013-09-26 US disclosed
US-20130059775-A1 Nucleic Acid Complexes PROCARTA BIOSYSTEMS LTD (GB) 2013-03-07 US disclosed
EP-2533815-A1 NUCLEIC ACID COMPLEXES Procarta Biosystems Ltd (GB) 2012-12-19 EP disclosed
WO-2011098829-A1 NUCLEIC ACID COMPLEXES PROCARTA BIOSYSTEMS LTD (GB) 2011-08-18 WO disclosed