SCHEMBL779924

SCHEMBL779924

c1ccc(C2CCC(C3CCCCC3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 7/20 0.55
CYP2D6 P10635 3/20 0.52
CYP2C19 P33261 1/20 0.52
SIGMAR1 Q99720 2/20 0.50
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 1/20 0.44
APEX1 P27695 1/20 0.44
BLM P54132 1/20 0.44
GRIN2B Q13224 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL11099008 1.00 SLC18A3 (0.55) SLC18A3CYP2D6CYP2C19SIGMAR1TSHR
SCHEMBL10347924 1.00 SLC18A3 (0.55) SLC18A3CYP2D6CYP2C19SIGMAR1TSHR
Biphenyl SCHEMBL10346569 0.93 SLC18A3 (0.57) SLC18A3CYP2D6CYP2C19SIGMAR1TSHR
SCHEMBL29215625 0.93 SLC18A3 (0.57) SLC18A3CYP2D6CYP2C19SIGMAR1TSHR
SCHEMBL6297980 0.87 SLC18A3 (0.49) SLC18A3CYP2D6CYP2C19SIGMAR1TSHR
SCHEMBL11028375 0.87 SLC18A3 (0.49) SLC18A3CYP2D6CYP2C19SIGMAR1TSHR
SCHEMBL6297981 0.87 SLC18A3 (0.49) SLC18A3CYP2D6CYP2C19SIGMAR1TSHR
SCHEMBL18573681 0.86 HTT (0.48) CYP2D6SMN1; SMN2CYP2C9ALDH1A1CYP11B2
SCHEMBL42833 0.85 SLC18A3 (0.63) SLC18A3CYP2D6CYP2C19SIGMAR1TSHR
SCHEMBL19198566 0.85 SLC18A3 (0.63) SLC18A3CYP2D6CYP2C19SIGMAR1TSHR

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 111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0062470-B1 LIQUID CRYSTAL BENZENE DERIVATIVES Chisso Corporation (JP) 1984-08-15 EP claimed
EP-0062470-A1 Liquid crystal benzene derivatives Chisso Corporation (JP) 1982-10-13 EP claimed
JP-54078383-A None JP disclosed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-12024665-B2 Polymer-stabilized liquid crystal composition and use thereof BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2024-07-02 US disclosed
WO-2024071364-A1 POLYMER COMPOSITION AND SINGLE-LAYER RETARDATION MATERIAL 日産化学株式会社 2024-04-04 WO disclosed
EP-3670503-B1 COMPOUND, LIQUID CRYSTAL MEDIUM CONTAINING SAME, AND USE THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO LTD (CN) 2023-10-18 EP disclosed
WO-2023171760-A1 PHASE DIFFERENCE FILM COMPOSITION AND SINGLE-LAYER PHASE DIFFERENCE MATERIAL 日産化学株式会社 2023-09-14 WO disclosed
WO-2023171757-A1 POLYMER COMPOSITION, SINGLE LAYER PHASE DIFFERENCE MATERIAL, AND LIQUID CRYSTAL ALIGNMENT AGENT 日産化学株式会社 2023-09-14 WO disclosed
US-20230265345-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND APPLICATION OF LIQUID CRYSTAL COMPOSITION BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2023-08-24 US disclosed
WO-2023095925-A1 POLYMER COMPOSITION AND SINGLE-LAYER RETARDATION MATERIAL 日産化学株式会社 2023-06-01 WO disclosed
US-20020053659-A1 Fluorine-substituted-4-alkenylbenzoic acid and derivatives thereof, and nematic liquid crystal composition containing cyanophenyl benzoate derivatives and liquid crystal display system using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-09 US disclosed
US-6287646-B1 MIXTURES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-09-11 US disclosed
CN-1246469-A Naphthacridine derivative and liquid crystal composite containing it DAINIPPON INK CHEMICAL IND CO (JP) 2000-03-08 CN disclosed
EP-0952135-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-10-27 EP disclosed
CN-1227838-A Fluoro 4-alkene-benzoic acid and its derivative, nematic liquid crystal composition and liquid crystal display using this composition DAINIPPON INK & CHEMICALS (JP) 1999-09-08 CN disclosed
EP-0919536-A1 Fluorine-substituted 4-alkenylbenzoic acid and derivatives thereof, and nematic liquid crystal composition containing cyanophenyl benzoate derivatives and liquid crystal display system using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-06-02 EP disclosed
US-4672401-A Heat-sensitive recording materials NIPPON STEEL CHEMICAL CO., LTD. (JP) 1987-06-09 US disclosed
EP-0164417-A1 THERMAL RECORDING MATERIAL NIPPON STEEL CHEMICAL CO., LTD. (JP) 1985-12-18 EP disclosed
JP-S5478383-A LIQUID CRYSTAL DISPLAY ELEMENT TOSHIBA CORP 1979-06-22 JP disclosed