SCHEMBL7743285

SCHEMBL7743285

OC(O)(O)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KCNN4 O15554 3/20 0.45
MAPK1 P28482 3/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 1/20 0.42
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
PTPN1 P18031 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
HRH1 P35367 1/20 0.38
SCN1A P35498 1/20 0.38

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
SCHEMBL7173455 0.90 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL36629 0.90 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL10392781 0.81 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19TSHRALDH1A1
Boric Acid SCHEMBL28618892 0.81 CYP2C19 (0.42) CYP1A2CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL6571165 0.81 CYP2C19 (0.42) CYP1A2CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL15275691 0.79 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19TSHRALDH1A1
Methoxymethane SCHEMBL2856857 0.79 KCNN4 (0.48) CYP1A2CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL29199451 0.79 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL8579900 0.79 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL5865852 0.79 TSHR (0.52) CYP1A2CYP2C9CYP2C19TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5147943-A Thermosetting resin; polyimide containing a modifying monoamine alcohol UBE INDUSTRIES, LTD. (JP) 1992-09-15 US claimed
EP-0219086-B1 POLYURETHANE COMPOSITIONS KURARAY CO., LTD. (JP) 1991-07-24 EP claimed
US-4704445-A ADHESIVES FOR PACKAGING KURARAY CO., LTD. (JP) 1987-11-03 US claimed
EP-0219086-A2 Polyurethane compositions KURARAY CO., LTD. (JP) 1987-04-22 EP claimed
CN-114651034-A Kit for producing polyolefin composite material 新加坡科技研究局 2022-06-21 CN disclosed
CN-102559207-B Liquid crystal aligning agent, polymer, method for producing polymer, liquid crystal alignment film and liquid crystal display device JSR CORP 2015-01-14 CN disclosed
CN-102559207-A Liquid crystal aligning agent, polymer, method for producing polymer, liquid crystal alignment film and liquid crystal display device JSR CORP 2012-07-11 CN disclosed
US-H2047-H1 THREE POLYMERIC LAYERS COMPRISING RIGID THERMOSETTABLE RESIN, COMPLIANT DIENE RUBBER AND ADHESIVE OF BONDED POLYOL, EPOXY RESIN, POLYISOCYANATE AND HYDROXY OR AMINO COMPOUND; REDUCED NOISE AND VIBRATION; AUTOMOBILE INTERIOR PANELS HENKEL CORPORATION 2002-09-03 US disclosed
US-5756650-A COMPOSITION COMPRISING POLYAMIC ACID, CURE ACCELERATOR SELECTED FROM GROUP CONSISTING OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AMINO ACID COMPOUND, AROMATIC COMPOUND HAVING TWO OR MORE HYDROXYL GROUPS KABUSHIKI KAISHA TOSHIBA (JP) 1998-05-26 US disclosed
US-5478897-A Prepared by incorporating phosphorus oxy acid, an amine compound and an epoxy resin into an organic polyisocyanate and polyol; employed in food packaging films TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
EP-0622437-A1 Polyurethane adhesive compositions TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-02 EP disclosed
EP-0349838-B1 Polyurethane adhesive compositions TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-02-02 EP disclosed
US-4704445-A ADHESIVES FOR PACKAGING KURARAY CO., LTD. (JP) 1987-11-03 US disclosed
EP-0219086-A2 Polyurethane compositions KURARAY CO., LTD. (JP) 1987-04-22 EP disclosed
EP-0114313-B1 ADHESIVE COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 1987-03-25 EP disclosed
EP-0084364-B1 POLYURETHANE ADHESIVE COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 1985-05-15 EP disclosed
US-4507447-A Polyurethane adhesive compositions containing oxyacid of phosphorus and silane coupling agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-03-26 US disclosed
US-4503189-A METALLIZED FILMS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-03-05 US disclosed
EP-0114313-A2 Adhesive compositions Takeda Chemical Industries, Ltd. (JP) 1984-08-01 EP disclosed
EP-0084364-A1 Polyurethane adhesive compositions Takeda Chemical Industries, Ltd. (JP) 1983-07-27 EP disclosed