SCHEMBL22872111

SCHEMBL22872111

Cc1ccc(-c2ccc(OC(F)(F)F)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.37
▸ ERCC5 P28715 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ HSD17B1 P14061 7/20 0.36
▸ HSD17B2 P37059 7/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ ESRRG P62508 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL23552202 0.82 CYP11B1 (0.32) FEN1HSD17B1HSD17B2
SCHEMBL22872112 0.81 ESR1 (0.38) FEN1HSD17B1HSD17B2ESR1ESR2
SCHEMBL14849707 0.77 APP (0.52) APPHSD17B1HSD17B2ESRRGACHE
SCHEMBL10471434 0.74 APP (0.53) APPHSD17B1HSD17B2ESRRGACHE
SCHEMBL9968693 0.73 APP (0.55) APPHSD17B1HSD17B2ESRRGACHE
SCHEMBL12778099 0.72 DAO (0.31) —
SCHEMBL13742991 0.72 ENPP1 (0.40) APPHSD17B1HSD17B2HDAC6HDAC4
SCHEMBL14703090 0.72 KIF11 (0.43) APPHSD17B1HSD17B2BCHEACHE
SCHEMBL12575567 0.71 APP (0.52) APPHSD17B1HSD17B2ESRRGACHE
SCHEMBL14703088 0.70 KIF11 (0.42) APPHSD17B1HSD17B2BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4279565-A2 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2023-11-22 — — EP disclosed
EP-3763802-B1 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2023-09-06 — — EP disclosed
US-11168255-B2 Thiophene compound, liquid-crystalline medium and liquid-crystal display comprising the same MERCK PATENT GMBH (DE) 2021-11-09 — — US disclosed
EP-3763802-A1 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2021-01-13 — — EP disclosed
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