SCHEMBL2230404

SCHEMBL2230404

C[N+](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.61
APOBEC3G Q9HC16 1/20 0.61
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 6/20 0.39
ACHE P22303 4/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
CA4 P22748 2/20 0.33
TP53 P04637 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
GLA P06280 1/20 0.32
CA3 P07451 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA7 P43166 1/20 0.32
OPRM1 P35372 1/20 0.31

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
Hydrochloric Acid SCHEMBL236927 0.97 APOBEC3A (0.58) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
Bromide SCHEMBL239525 0.97 APOBEC3A (0.58) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
Fluoride Ion SCHEMBL1502846 0.97 APOBEC3A (0.58) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
Iodide SCHEMBL240324 0.97 APOBEC3A (0.67) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
Water SCHEMBL188487 0.97 APOBEC3A (0.58) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
Bromide SCHEMBL14972598 0.91 APOBEC3A (0.52) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
SCHEMBL2150488 0.88 APOBEC3A (0.50) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
SCHEMBL27734056 0.88 APOBEC3A (0.50) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
SCHEMBL27817432 0.86 APOBEC3A (0.48) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
Perchlorate SCHEMBL2149836 0.84 APOBEC3A (0.46) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362494-B1 POLYURETHANE CATALYSTS FROM SULFUR BASED SALTS EVONIK OPERATIONS GMBH (DE) 2023-08-16 EP claimed
EP-3330311-B1 STORAGE STABLE 1K-POLYURETHANE-PREPREGS AND MOULDED ARTICLE MADE FROM SAME ON THE BASIS OF A POLYURETHANE COMPOSITION EVONIK OPERATIONS GMBH (DE) 2021-05-05 EP claimed
CN-106795261-B Polyurethane catalysts based on salts of sulfur 赢创运营有限公司 2020-04-21 CN claimed
US-10570245-B2 Polyurethane catalysts from sulfur based salts EVONIK OPERATIONS GMBH (DE) 2020-02-25 US claimed
US-10472459-B2 Polyurethane catalysts from a sulfur based salts EVONIK DEGUSSA GMBH (DE) 2019-11-12 US claimed
EP-3207071-A1 POLYURETHANE CATALYSTS FROM SULFUR BASED SALTS Evonik Degussa GmbH (DE) 2017-08-23 EP claimed
EP-2411439-B1 PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE EVONIK DEGUSSA GMBH (DE) 2016-11-16 EP claimed
US-20160229945-A1 POLYURETHANE CATALYSTS FROM SULFUR BASED SALTS AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-08-11 US claimed
WO-2016061068-A1 POLYURETHANE CATALYSTS FROM SULFUR BASED SALTS AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-04-21 WO claimed
US-20160102169-A1 Polyurethane Catalysts from Sulfur Based Salts AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-04-14 US claimed
EP-0272674-B1 PROCESS FOR PRODUCING 2,6-DICHLOROBENZYL ALCOHOL HODOGAYA CHEMICAL CO., LTD. (JP) 1993-03-17 EP claimed
EP-0435014-A1 Removal of organic cations from polar fluids THE DOW CHEMICAL COMPANY (US) 1991-07-03 EP claimed
US-4968433-A Removal of organic cations from polar fluids THE DOW CHEMICAL COMPANY (US) 1990-11-06 US claimed
US-4522760-A SEPARATION USING NITROGEN, PHOSPHORUS, OR ARSENIC QUATERNARY ONIUMSALT, ALCOHOL, AND HYDROCARBON SOLVENT RHONE-POULENC CHIMIE DE BASE (FR) 1985-06-11 US claimed
EP-0060734-B1 PROCESS FOR THE PREPARATION OF ESTERS OF BETA-GAMMA-UNSATURATED CARBOXYLIC ACIDS RHONE-POULENC CHIMIE DE BASE (FR) 1985-03-06 EP claimed
EP-0074912-B1 PROCESS FOR THE SEPARATION OF PALLADIUM FROM THE CARBONYLATION PRODUCTS OF CONJUGATED DIENES IN THE PRESENCE OF PALLADIUM RHONE-POULENC CHIMIE DE BASE (FR) 1985-02-13 EP claimed
US-4433164-A HYDROHALIDE; PALLADIUM CATALYST; AMMONIUM, PHOSPHONIUM OR ARSONIUM COMPOUND RHONE-POULENC INDUSTRIES (FR) 1984-02-21 US claimed
EP-0074912-A1 Process for the separation of palladium from the carbonylation products of conjugated dienes in the presence of palladium RHONE-POULENC CHIMIE DE BASE (FR) 1983-03-23 EP claimed
EP-0060734-A1 Process for the preparation of esters of beta-gamma-unsaturated carboxylic acids RHONE-POULENC CHIMIE DE BASE (FR) 1982-09-22 EP claimed
US-4024170-A Liquid clathrates THE UNIVERSITY OF ALABAMA (US) 1977-05-17 US claimed