SCHEMBL22129703

SCHEMBL22129703

Fc1cc(-c2sccc2Br)c(F)cc1-c1sccc1Br

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
CES1 P23141 1/20 0.33
CASP3 P42574 1/20 0.33
PTGS1 P23219 3/20 0.31
PTGS2 P35354 2/20 0.31
MAPK14 Q16539 1/20 0.31
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP2A6 P11509 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
SCHEMBL28603079 0.84 CA3 (0.38) ESR1POLBMAPTRXFP1CASP3
SCHEMBL29084982 0.81 ESR1 (0.70) ESR1
SCHEMBL2195598 0.79 POLB (0.38) ESR1POLBMAPTRXFP1CES1
SCHEMBL770898 0.75 POLB (0.44) POLBMAPTRXFP1CES1CASP3
SCHEMBL19570527 0.74 POLB (0.39) POLBMAPTRXFP1CES1CASP3
SCHEMBL27940418 0.73 CES1 (0.41) POLBMAPTRXFP1CES1CASP3
SCHEMBL16546150 0.71 PTPRC (0.38) POLBMAPTRXFP1CES1CASP3
SCHEMBL29085006 0.70 HSD17B1 (0.44) ESR1
SCHEMBL7637091 0.70 POLB (0.36) POLBMAPTRXFP1CASP3MAPK14
SCHEMBL28515380 0.68 ALDH1A1 (0.41) ESR1MAPTCES1CASP3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12101991-B2 Composition containing organic semiconductor, solution for forming organic semiconductor layer, organic semiconductor layer, and organic thin film transistor TOSOH CORPORATION (JP) 2024-09-24 US disclosed
EP-3902023-B1 COMPOSITION CONTAINING ORGANIC SEMICONDUCTOR, SOLUTION FOR FORMING ORGANIC SEMICONDUCTOR LAYER, ORGANIC SEMICONDUCTOR LAYER, AND ORGANIC THIN FILM TRANSISTOR TOSOH CORP (JP) 2024-04-24 EP disclosed
US-20220059768-A1 COMPOSITION CONTAINING ORGANIC SEMICONDUCTOR, SOLUTION FOR FORMING ORGANIC SEMICONDUCTOR LAYER, ORGANIC SEMICONDUCTOR LAYER, AND ORGANIC THIN FILM TRANSISTOR TOSOH CORPORATION (JP) 2022-02-24 US disclosed
EP-3902023-A1 COMPOSITION CONTAINING ORGANIC SEMICONDUCTOR, SOLUTION FOR FORMING ORGANIC SEMICONDUCTOR LAYER, ORGANIC SEMICONDUCTOR LAYER, AND ORGANIC THIN FILM TRANSISTOR Tosoh Corporation (JP) 2021-10-27 EP disclosed
WO-2020130104-A1 COMPOSITION CONTAINING ORGANIC SEMICONDUCTOR, SOLUTION FOR FORMING ORGANIC SEMICONDUCTOR LAYER, ORGANIC SEMICONDUCTOR LAYER, AND ORGANIC THIN FILM TRANSISTOR 東ソー株式会社 2020-06-25 WO disclosed