SCHEMBL1938445

SCHEMBL1938445

CCC(C)c1c(O)ccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.45
MAPT P10636 4/20 0.41
CTSB P07858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX12 P18054 2/20 0.41
CASP6 P55212 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
BRD4 O60885 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2C P28335 1/20 0.41
CTH P32929 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL29967588 1.00 GPR35 (0.45) GPR35MAPTCTSBSMN1; SMN2ALDH1A1
SCHEMBL11717704 0.88 GPR35 (0.42) GPR35MAPTCTSBSMN1; SMN2ALDH1A1
SCHEMBL30906930 0.88 GPR35 (0.45) GPR35MAPTCTSBSMN1; SMN2ALDH1A1
SCHEMBL1812870 0.88 GPR35 (0.45) GPR35MAPTCTSBSMN1; SMN2ALDH1A1
SCHEMBL5934433 0.83 GPR35 (0.42) GPR35MAPTCTSBSMN1; SMN2ALDH1A1
SCHEMBL11686194 0.79 GPR35 (0.50) GPR35MAPTSMN1; SMN2ALOX12TDP1
SCHEMBL1938443 0.78 TDP1 (0.43) GPR35MAPTALDH1A1ALOX12LMNA
SCHEMBL2012619 0.75 TDP1 (0.43) GPR35MAPTALDH1A1ALOX12LMNA
SCHEMBL30679179 0.75 TDP1 (0.43) GPR35MAPTALDH1A1ALOX12LMNA
SCHEMBL6905228 0.74 TSHR (0.46) GPR35MAPTSMN1; SMN2ALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111269378-B High-elasticity water-based UV resin and preparation method thereof 江门市恒之光环保新材料有限公司 2021-11-30 CN claimed
CN-111269378-A High-elasticity water-based UV resin and preparation method thereof 江门市恒之光环保新材料有限公司 2020-06-12 CN claimed
CN-111117334-A Water-based photocuring reactive diluent and preparation method and application thereof 深圳新远新材料有限公司 2020-05-08 CN claimed
CN-107254251-B A kind of aqueous UV urethane acrylate dispersoid and preparation method thereof with self-initiating function 湖南邦弗特新材料技术有限公司 2019-11-05 CN claimed
CN-107254250-B A kind of aqueous UV urethane acrylate dispersoid of high glaze and preparation method thereof 湖南邦弗特新材料技术有限公司 2019-09-03 CN claimed
CN-108359031-A A kind of water borne UV curing resin and its application 北京乾瑞科技有限公司 2018-08-03 CN claimed
CN-107254251-A A kind of aqueous UV urethane acrylate dispersoids with self-initiating function and preparation method thereof 湖南邦弗特新材料技术有限公司 2017-10-17 CN claimed
CN-107254250-A A kind of aqueous UV urethane acrylate dispersoids of high glaze and preparation method thereof 湖南邦弗特新材料技术有限公司 2017-10-17 CN claimed
CN-104302602-B Improved additive composition for controlling and inhibiting polymerization of aromatic vinyl monomers and method of using same 多尔夫凯塔尔化学制品(I)私人有限公司 2017-03-08 CN claimed
CN-114728269-B Method for preparing insoluble polymer abatement additives in styrene process streams by catalytic oxidation 弗纳技术股份有限公司 2023-11-14 CN disclosed
US-11661496-B2 Additives to remediate DVB cross-linking and insoluble polymer formation in the styrene process FINA TECHNOLOGY, INC. (US) 2023-05-30 US disclosed
CN-116082661-A Anti-migration macromolecular self-initiated aqueous fluorosilicone modified polyurethane emulsion and preparation method thereof 长沙广欣新材料科技有限公司 2023-05-09 CN disclosed
CN-114728269-A Process for preparing insoluble polymer abatement additives in styrene process streams by catalytic oxidation 弗纳技术股份有限公司 2022-07-08 CN disclosed
EP-3935029-A1 ADDITIVES TO REMEDIATE DVB CROSS-LINKING AND INSOLUBLE POLYMER FORMATION IN THE STYRENE PROCESS Fina Technology, Inc. (US) 2022-01-12 EP disclosed
US-4039588-A ALKOXY, AMINO, HALO-, OR CYANO-SUBSTITUTED ROHM AND HAAS COMPANY (US) 1977-08-02 US disclosed
US-4029687-A HERBICIDES CIBA-GEIGY AG (CH) 1977-06-14 US disclosed
US-4004914-A HERBICIDES CIBA-GEIGY AG (CH) 1977-01-25 US disclosed
US-3954875-A Benzophenone herbicides ROHM AND HAAS COMPANY (US) 1976-05-04 US disclosed
US-3951641-A Use of N-(4-isopropoxy-3-chlorophenyl)-N'-methyl-N'-methoxyurea for control of weeds in maize cultures CIBA-GEIGY AG (CH) 1976-04-20 US disclosed
US-3950379-A HERBICIDES ROHM AND HAAS COMPANY (US) 1976-04-13 US disclosed