SCHEMBL8958639

SCHEMBL8958639

Clc1cc(Cl)c2c(c1)Oc1ccccc1O2

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AHR P35869 15/20 0.70
FLT1 P17948 1/20 0.37
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX5 P09917 1/20 0.32

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
SCHEMBL30431628 1.00 AHR (0.70) AHRFLT1MAPK1ALDH1A1ALOX5
SCHEMBL8952151 0.87 AHR (0.82) AHRFLT1ALDH1A1
SCHEMBL7887922 0.86 AHR (0.74) AHRFLT1
SCHEMBL8952194 0.84 AHR (0.78) AHRFLT1ALDH1A1
SCHEMBL9345588 0.83 AHR (1.00) AHRFLT1ALDH1A1
SCHEMBL31696700 0.83 AHR (1.00) AHRFLT1ALDH1A1
SCHEMBL28723683 0.80 AHR (0.57) AHRFLT1
SCHEMBL28717044 0.80 AHR (0.47) AHR
SCHEMBL4737802 0.78 AHR (0.69) AHRFLT1MAPK1ALDH1A1
SCHEMBL2884895 0.77 AHR (0.67) AHRFLT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778343-A Boron-based organic electroluminescent material and preparation method and application thereof 武汉尚赛光电科技有限公司 2021-05-11 CN disclosed
CN-112679534-A Heterocyclic organic electroluminescent material, preparation method, application and device thereof 武汉尚赛光电科技有限公司 2021-04-20 CN disclosed
US-5493115-A Methods for analyzing a sample for a compound of interest using mass analysis of ions produced by slow monochromatic electrons THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY 1996-02-20 US disclosed