SCHEMBL27006307

SCHEMBL27006307

COc1cc(O)ccc1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.58
ESR2 Q92731 2/20 0.58
MAOB P27338 1/20 0.48
AR P10275 1/20 0.43
AKR1C3 P42330 1/20 0.43
GUSB P08236 3/20 0.43
TUBB1 Q9H4B7 2/20 0.43
PTPN1 P18031 1/20 0.41
DHODH Q02127 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
ERN1 O75460 2/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL22530493 0.81 ESR1 (0.65) ESR1ESR2MAOBGUSBABCB1
SCHEMBL29392744 0.81 ESR1 (0.65) ESR1ESR2MAOBGUSBABCB1
SCHEMBL20244896 0.80 ESR1 (0.54) ESR1ESR2MAOBGUSBPTPN1
SCHEMBL9446140 0.80 ESR2 (0.73) ESR1ESR2MAOBGUSBPTPN1
SCHEMBL9623648 0.79 MAOB (0.67) ESR1ESR2MAOBGUSBPTPN1
SCHEMBL3810477 0.78 ESR2 (0.71) ESR1ESR2MAOBGUSBABCB1
SCHEMBL760692 0.77 ESR1 (0.60) ESR1ESR2ARAKR1C3
SCHEMBL4392380 0.77 ESR2 (0.64) ESR1ESR2MAOBGUSBPTPN1
SCHEMBL15354 0.75 MAOB (0.61) ESR1ESR2MAOB
SCHEMBL18308821 0.75 ESR2 (0.67) ESR1ESR2MAOBGUSBPTPN1

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-20240019746-A1 ULTRA-HIGH-POLARITY CHIRAL LIQUID CRYSTAL MATERIAL, LIQUID CRYSTAL LASER AND PREPARATION METHOD THEREFOR SOUTH CHINA UNIVERSITY OF TECHNOLOGY (CN) 2024-01-18 US disclosed
US-20240019746-A1 ULTRA-HIGH-POLARITY CHIRAL LIQUID CRYSTAL MATERIAL, LIQUID CRYSTAL LASER AND PREPARATION METHOD THEREFOR SOUTH CHINA UNIVERSITY OF TECHNOLOGY (CN) 2024-01-18 US disclosed
US-20240019746-A1 ULTRA-HIGH-POLARITY CHIRAL LIQUID CRYSTAL MATERIAL, LIQUID CRYSTAL LASER AND PREPARATION METHOD THEREFOR SOUTH CHINA UNIVERSITY OF TECHNOLOGY (CN) 2024-01-18 US disclosed
CN-112322306-B Ultrahigh-polarity chiral liquid crystal material, liquid crystal laser and preparation method thereof 华南理工大学 2022-05-24 CN disclosed
WO-2022089501-A1 ULTRA-HIGH-POLARITY CHIRAL LIQUID CRYSTAL MATERIAL, LIQUID CRYSTAL LASER AND PREPARATION METHOD THEREFOR 华南理工大学 2022-05-05 WO disclosed