SCHEMBL247945

SCHEMBL247945

O=C(OO)c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.62
CA2 P00918 5/20 0.62
CA12 O43570 4/20 0.62
CA7 P43166 4/20 0.62
CA9 Q16790 4/20 0.62
CA14 Q9ULX7 4/20 0.62
ESR1 P03372 5/20 0.56
ESR2 Q92731 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 4/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
CA3 P07451 1/20 0.52
TYR P14679 1/20 0.52
DRD1 P21728 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52

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
SCHEMBL1286650 0.89 CES2 (0.48) CA1CA2CA12CA7CA9
Hydroquinone SCHEMBL10560181 0.88 CES2 (0.58) CA1CA2CA12CA7CA9
SCHEMBL11880655 0.86 CES2 (0.46) CA1CA2CA12CA7CA9
SCHEMBL28597958 0.86 CES2 (0.46) CA1CA2CA12CA7CA9
SCHEMBL29112554 0.86 CES2 (0.46) CA1CA2CA12CA7CA9
Paraben SCHEMBL28154331 0.85 CA12 (0.61) CA1CA2CA12CA7CA9
Ethylene SCHEMBL1366416 0.83 CES2 (0.43) CA1CA2CA12CA7CA9
Methylparaben SCHEMBL27815248 0.82 CA1 (0.71) CA1CA2CA12CA7CA9
SCHEMBL3876168 0.81 BCL2L1 (0.52) CA1CA2CA12CA7CA9
Cyclopropane SCHEMBL18860160 0.81 KDM4E (0.42) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021101777-A1 SELF-SOLIDIFYING TOPICAL FORMULATIONS WITH LOCAL ANESTHETIC ZHANG JIE (US) 2021-05-27 WO claimed
EP-1220837-B1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES AKZO NOBEL NV (NL) 2004-08-18 EP claimed
CN-1036700-C Gel-like medicine for treating mucosal lesion and precancerous lesion and preparation method thereof QINGDAO MUNICIPAL HOSPITAL (CN) 1997-12-17 CN claimed
US-4028118-A AN ELECTRON-DONATING CHROMATIC COMPOUND, A PHENOLIC COMPOUND, A HIGHER ALIPHATIC ALCOHOL AND ESTER PILOT INK CO., LTD. (JA) 1977-06-07 US claimed
CN-108452949-B Flotation process of ilmenite or bastnaesite 江西理工大学 2022-05-24 CN disclosed
EP-3959233-A1 NETRIN G1 AND NETRIN G1 LIGAND PEPTIDES AND ANTIBODIES AND USES THEREOF Institute For Cancer Research d/b/a The Research Institute of Fox Chase Cancer Center (US) 2022-03-02 EP disclosed
CN-113768946-A Ointment for treating diabetic skin complications and preparation method thereof 南京帝昌医药科技有限公司 2021-12-10 CN disclosed
WO-2021101777-A1 SELF-SOLIDIFYING TOPICAL FORMULATIONS WITH LOCAL ANESTHETIC ZHANG JIE (US) 2021-05-27 WO disclosed
EP-2588502-B1 POLYMERIZATION PROCESS WITH IN-SITU INITIATOR FORMATION NOURYON CHEMICALS INT BV (NL) 2021-03-31 EP disclosed
CN-111526878-A Pharmaceutical composition containing triterpenes and application thereof 上海蓝木化工有限公司 2020-08-11 CN disclosed
CN-111377993-A New application of triterpenoid 上海蓝木化工有限公司 2020-07-07 CN disclosed
CN-111377992-A Medical application of triterpenoid 上海蓝木化工有限公司 2020-07-07 CN disclosed
EP-1220837-A1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES Akzo Nobel N.V. (NL) 2002-07-10 EP disclosed
WO-2001027078-A1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES AKZO NOBEL N.V. (NL) 2001-04-19 WO disclosed
US-6165234-A FOR IMPARTING REVERSIBLE COLOR CHANGES TO WAXES AND CANDLES WHEN HEATED OR WHEN WAX MELTS OR WHEN THE CANDLE BURNS KANAKKANATT SEBASTIAN V (US) 2000-12-26 US disclosed
CN-1036700-C Gel-like medicine for treating mucosal lesion and precancerous lesion and preparation method thereof QINGDAO MUNICIPAL HOSPITAL (CN) 1997-12-17 CN disclosed
US-4028118-A AN ELECTRON-DONATING CHROMATIC COMPOUND, A PHENOLIC COMPOUND, A HIGHER ALIPHATIC ALCOHOL AND ESTER PILOT INK CO., LTD. (JA) 1977-06-07 US disclosed
US-4008175-A Organic acid anhydride-peroxydicarbonate composition PPG INDUSTRIES, INC. (US) 1977-02-15 US disclosed
US-3985720-A Polymerization of ethylenically unsaturated monomer employing a catalyst system comprising dialkylpyrocarbonate, organic acid anhydride, alkaline reagent and H2 O2 PPG INDUSTRIES, INC. (US) 1976-10-12 US disclosed
US-3978032-A ALKALINE BUFFER, ANHYDRIDE, PERACID, ALKYL HALOFORMATE PPG INDUSTRIES, INC. (US) 1976-08-31 US disclosed