SCHEMBL2053476

SCHEMBL2053476

C=Nc1cncn1C(N)=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
SCHEMBL11257472 0.69 TBXAS1 (0.32)
SCHEMBL6044385 0.67 TBXAS1 (0.33)
SCHEMBL22750410 0.66 CYP11B2 (0.38)
Succinic Acid SCHEMBL27888588 0.63 TBXAS1 (0.34)
SCHEMBL7096286 0.60 ALDH1A1 (0.38)
SCHEMBL19152161 0.59 PARP1 (0.36)
SCHEMBL25280775 0.57
SCHEMBL27843880 0.56 TSHR (0.32)
SCHEMBL9639870 0.54
SCHEMBL14725981 0.54

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-20160289278-A1 GENES OF AN OTITIS MEDIA ISOLATE OF NONTYPEABLE HEAMOPHILUS INFLUENZAE NATIONWIDE CHILDREN'S HOSPITAL 2016-10-06 US disclosed
US-20150218231-A1 GENES OF AN OTITIS MEDIA ISOLATE OF NONTYPEABLE HEAMOPHILUS INFLUENZAE NATIONWIDE CHILDREN'S HOSPITAL 2015-08-06 US disclosed
US-9034642-B2 Genes of an otitis media isolate of nontypeable Haemophilus influenzae NATIONWIDE CHILDREN'S HOSPITAL (US) 2015-05-19 US disclosed
US-20140127221-A1 Genes of an Otitis Media Isolate of Nontypeable Haemophilus Influenzae NATIONWIDE CHILDREN'S HOSPITAL, INC. (US) 2014-05-08 US disclosed
US-8652773-B2 Genes of an otitis media isolate of nontypeable Haemophilus influenza NATIONWIDE CHILDREN'S HOSPITAL, INC. (US) 2014-02-18 US disclosed
US-20130078254-A1 GENES OF AN OTITIS MEDIA ISOLATE OF NONTYPEABLE HAEMOPHILUS INFLUENZAE NATIONWIDE CHILDREN'S HOSPITAL, INC. (US) 2013-03-28 US disclosed
US-8283114-B2 Genes of an otitis media isolate of nontypeable Haemophilus influenzae NATIONWIDE CHILDREN'S HOSPITAL, INC. (US) 2012-10-09 US disclosed
EP-2343312-A1 Genes of an otitis media isolate of nontypeable haemophilus influenzae Nationwide Children's Hospital, Inc. (US) 2011-07-13 EP disclosed
US-20110135646-A1 Genes of an Otitis Media Isolate of Nontypeable Haemophilus influenzae NATIONWIDE CHILDREN'S HOSPITAL, INC. (US) 2011-06-09 US disclosed
EP-2070945-A1 Genes of an otitis media isolate of nontypeable haemophilus influenzae Nationwide Children's Hospital, Inc. (US) 2009-06-17 EP disclosed