SCHEMBL8045333

SCHEMBL8045333

C=CCCC1CCC(C2CCC(CCC)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.36
TLR4 O00206 2/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 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
SCHEMBL7909218 0.94 TSHR (0.37) TSHRALDH1A1TLR4CYP1A2
SCHEMBL7909226 0.94 TSHR (0.37) TSHRALDH1A1TLR4CYP1A2
SCHEMBL7909232 0.94 TSHR (0.37) TSHRALDH1A1TLR4CYP1A2
SCHEMBL7523435 0.94 TSHR (0.43) TSHRALDH1A1CYP1A2CYP2C9
SCHEMBL6458983 0.91 TLR4 (0.37) TSHRALDH1A1TLR4
SCHEMBL6458988 0.91 TLR4 (0.37) TSHRALDH1A1TLR4
SCHEMBL8078926 0.89 TSHR (0.33) TSHRALDH1A1TLR4
SCHEMBL8078928 0.89 TSHR (0.33) TSHRALDH1A1TLR4
SCHEMBL24445903 0.88 CYP1A2 (0.47) TSHRALDH1A1CYP1A2
SCHEMBL3477778 0.88 TSHR (0.43) TSHRALDH1A1TLR4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4001378-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2022-05-25 EP disclosed
EP-0733692-B1 Liquid crystalline compound, liquid crystal composition containing the same, and display device CHISSO CORP (JP) 2000-06-14 EP disclosed
EP-0728829-B1 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-05-03 EP disclosed
US-6015508-A USEFUL FOR ELECTROOPTICAL LIQUID CRYSTAL DISPLAY MATERIALS CHISSO CORPORATION (JP) 2000-01-18 US disclosed
EP-0727473-B1 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-01-12 EP disclosed
US-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed
EP-0861828-A1 Liquid crystalline compounds containing hydrocarbon groups, liquid crystalline compositions and liquid crystal display elements Chisso Corporation (JP) 1998-09-02 EP disclosed
US-5714088-A TRIFLUOROMETHYL- OR -METHOXYPHENYL-SUBSTITUTED BRANCHED ALKYL-SUBSTITUTED CYCLOHEXANES; LARGE POSITIVE VALUE OF DIELECTRIC ANISOTROPY; VERY LOW VISCOSITY; HIGH VOLTAGE HOLDING RATIO(SPECIFIC RESISTANCE); UV STABILITY CHISSO CORPORATION (JP) 1998-02-03 US disclosed
CN-1140194-A Liquid crystalline compound having branched alkyl group at its side chain and liquid crystal composition containing the same CHISSO CORP (JP) 1997-01-15 CN disclosed
EP-0733692-A1 Liquid crystalline compound, liquid crystal composition containing the same, and display device Chisso Corporation (JP) 1996-09-25 EP disclosed
EP-0728829-A2 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1996-08-28 EP disclosed
EP-0727473-A2 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-08-21 EP disclosed