SCHEMBL22880409

SCHEMBL22880409

c1ccc(-c2nc3ccc4ccc5cc(-c6cccc(-c7cc8ccccc8c8c7ccc7ccccc78)c6)ccc5c4c3o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
ALDH1A1 P00352 6/20 0.38
MAPT P10636 5/20 0.38
ELANE P08246 1/20 0.37
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
PTGES O14684 1/20 0.35
BACE1 P56817 1/20 0.35
CYP1A1 P04798 4/20 0.34
CYP1A2 P05177 4/20 0.34
CYP1B1 Q16678 3/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL21662281 0.94 DHODH (0.44) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL22880415 0.92 DHODH (0.43) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL21662280 0.92 DHODH (0.44) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL22880320 0.91 ESR1 (0.43) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL22880307 0.91 ESR1 (0.45) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL21662285 0.89 DHODH (0.43) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL22880323 0.88 ESR1 (0.43) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL22880306 0.87 DHODH (0.47) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL21662282 0.86 DHODH (0.43) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL24004119 0.86 DHODH (0.47) DHODHESR1ESR2ALDH1A1MAPT

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
US-11793075-B2 Plurality of host materials and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-10-17 US disclosed
US-11793075-B2 Plurality of host materials and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-10-17 US disclosed
US-20210013427-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-01-14 US disclosed