SCHEMBL7213285

SCHEMBL7213285

Cc1ccc(COCCl)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.54
KCNH2 Q12809 2/20 0.50
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
IDO1 P14902 1/20 0.42
MAOB P27338 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PARP10 Q53GL7 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 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
SCHEMBL14947971 0.87 TSHR (0.48) AGXTKCNH2CA2CA9IDO1
SCHEMBL9617939 0.85 AGXT (0.64) AGXTKCNH2CA1CA2CA9
SCHEMBL3161372 0.85 AGXT (0.64) AGXTKCNH2CA1CA2CA9
Potassium SCHEMBL586332 0.82 AGXT (0.61) AGXTKCNH2CA1CA2CA9
Lithium SCHEMBL585057 0.82 AGXT (0.61) AGXTKCNH2CA1CA2CA9
SCHEMBL586154 0.82 AGXT (0.61) AGXTKCNH2CA1CA2CA9
SCHEMBL12270447 0.80 AGXT (0.58) AGXTKCNH2CA1CA2CA9
SCHEMBL9861794 0.80 AGXT (0.58) AGXTKCNH2CA1CA2CA9
SCHEMBL12523976 0.79 AGXT (0.52) AGXTKCNH2CA1CA2CA9
SCHEMBL7219594 0.78 IDO1 (0.56) AGXTIDO1MAOBRAB9ACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120288752-A1 ADDITIVE FOR OVERCHARGE PREVENTING OF SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY INCLUDING THE SAME SAMSUNG CORNING PRECISION MATERIALS CO., LTD. 2012-11-15 US claimed
EP-2523247-A1 Additive for overcharge preventing of secondary battery and non-aqueous electrolyte for secondary battery including the same Samsung Corning Precision Materials Co., Ltd. (KR) 2012-11-14 EP claimed
US-20120288752-A1 ADDITIVE FOR OVERCHARGE PREVENTING OF SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY INCLUDING THE SAME SAMSUNG CORNING PRECISION MATERIALS CO., LTD. 2012-11-15 US disclosed
US-RE37979-E1 Pyrimidine derivatives and anti-viral agent containing the same as active ingredient thereof MITSUBISHI CHEMICAL CORPORATION 2003-02-04 US disclosed
EP-0829476-B1 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof MITSUBISHI CHEM CORP (JP) 2002-08-28 EP disclosed
US-6127426-A ANTIALLERGIC AND -INFLAMMATORY AGENTS E.G., TREATING PSORIASIS, BLOCKED ON THE C-10 BY A NONPHENOLIC ARYLACYL OR A PHENYLALKYLIDENE GROUP; LIPOXYGENASE INHIBITORS; ANTIPROLIFERATIVE AGENTS; LOW DOSAGE; SIDE EFFECT REDUCTION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2000-10-03 US disclosed
EP-0664780-B1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMA (IL) 1999-12-08 EP disclosed
US-5952390-A ANTIINFLAMMATORY AGENTS; TREATMENT FOR PSORIASIS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1999-09-14 US disclosed
US-5844004-A 10-substituted 1,8-dihydroxy-9 (10H) anthracenone pharmaceuticals TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1998-12-01 US disclosed
EP-0829476-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1998-03-18 EP disclosed
US-5661187-A ADMINISTERING TO TREAT AN ALLERGIC OR INFLAMMATORY CONDITION; SIDE EFFECT REDUCTION TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-08-26 US disclosed
US-5461060-A Antiretroviral activity MITSUBISHI KASEI CORPORATION (JP) 1995-10-24 US disclosed
EP-0664780-A1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-08-02 EP disclosed
US-5426197-A Antiinflammatory, antiallergy or antitumor agents TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1995-06-20 US disclosed
WO-1995003266-A1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1995-02-02 WO disclosed
EP-0420763-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1991-04-03 EP disclosed
EP-0160573-A2 Pyrimidinone derivatives NYCOMED AS (NO) 1985-11-06 EP disclosed
US-4268681-A HERBICIDES, PLANT GROWTH REGULATORS, INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed
US-4185991-A 4,5-Dichloro-imidazole derivatives and their use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 1980-01-29 US disclosed
US-4178166-A HERBICIDES, INSECTICIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1979-12-11 US disclosed