SCHEMBL5730876

SCHEMBL5730876

OCCCCC1COc2cscc2O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA2 P00918 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
MTNR1A P48039 2/20 0.31
GAA P10253 1/20 0.30
ALOX5 P09917 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL16654370 0.98 HTT (0.37) HTTPOLBALDH1A1SMN1; SMN2CA2
SCHEMBL16655538 0.95 HTT (0.39) HTTPOLBALDH1A1SMN1; SMN2CA2
SCHEMBL5731186 0.88 HTT (0.41) HTTPOLBALDH1A1SMN1; SMN2CA2
SCHEMBL4260024 0.84 ALDH1A1 (0.43) HTTPOLBALDH1A1ALOX5
SCHEMBL17272341 0.83 HTT (0.36) HTTPOLBALDH1A1SMN1; SMN2CA2
SCHEMBL4258523 0.83 ALDH1A1 (0.46) HTTPOLBALDH1A1ALOX5
SCHEMBL3398722 0.83 ALDH1A1 (0.46) HTTPOLBALDH1A1ALOX5
SCHEMBL5895055 0.83 ALDH1A1 (0.46) HTTPOLBALDH1A1ALOX5
SCHEMBL4261969 0.83 ALDH1A1 (0.46) HTTPOLBALDH1A1ALOX5
SCHEMBL5895085 0.83 ALDH1A1 (0.46) HTTPOLBALDH1A1ALOX5

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-20160251470-A1 ZWITTERIONIC POLYSACCHARIDE POLYMERS HAVING ANTIFOULING, ANTIMICROBIAL AND OPTICAL TRANSPARENCY PROPERTIES NATIONAL SCIENCE FOUNDATION 2016-09-01 US disclosed
WO-2015057645-A9 ZWITTERIONIC POLYSACCHARIDE POLYMERS HAVING ANTIFOULING, ANTIMICROBIAL AND OPTICAL TRANSPARENCY PROPERTIES THE UNIVERSITY OF AKRON (US) 2015-09-17 WO disclosed
WO-2015057645-A1 ZWITTERIONIC POLYSACCHARIDE POLYMERS HAVING ANTIFOULING, ANTIMICROBIAL AND OPTICAL TRANSPARENCY PROPERTIES THE UNIVERSITY OF AKRON (US) 2015-04-23 WO disclosed
EP-1352918-B1 Alkylenedioxythiophenes and poly(alkylenedioxythiophene)s with side groups containing urethane groups STARCK H C GMBH (DE) 2006-07-26 EP disclosed
US-6852831-B2 Alkylenedioxythiophenes and poly(alkylenedioxythiophene)s having urethane-containing side groups BAYER AKTIENGESELLSCHAFT (DE) 2005-02-08 US disclosed
US-20030216540-A1 Alkylenedioxythiophenes and poly(alkylenedioxythiophene)s having urethane-containing side groups H. C. STARCK GMBH (DE) 2003-11-20 US disclosed
EP-1352918-A1 Alkylenedioxythiophenes and poly(alkylenedioxythiophene)s with side groups containing urethane groups Bayer Aktiengesellschaft (DE) 2003-10-15 EP disclosed