SCHEMBL2484539

SCHEMBL2484539

NCCC(N)Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.70
ANPEP P15144 1/20 0.59
TAAR1 Q96RJ0 3/20 0.52
SLC6A2 P23975 2/20 0.52
CYP2A6 P11509 2/20 0.52
MAOA P21397 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
MMP2 P08253 3/20 0.51
CYP2D6 P10635 1/20 0.48
HRH1 P35367 1/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
HTR2A P28223 1/20 0.46

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
SCHEMBL8606753 1.00 EPHX1 (0.70) EPHX1ANPEPTAAR1SLC6A2CYP2A6
Hydrochloric Acid SCHEMBL3525577 0.98 EPHX1 (0.67) EPHX1ANPEPTAAR1SLC6A2CYP2A6
SCHEMBL18034347 0.88 EPHX1 (0.80) EPHX1ANPEPTAAR1SLC6A2CYP2A6
SCHEMBL902607 0.88 EPHX1 (0.80) EPHX1ANPEPTAAR1SLC6A2CYP2A6
SCHEMBL2736189 0.88 EPHX1 (0.80) EPHX1ANPEPTAAR1SLC6A2CYP2A6
SCHEMBL15476621 0.88 EPHX1 (0.80) EPHX1ANPEPTAAR1SLC6A2CYP2A6
SCHEMBL902633 0.88 EPHX1 (0.80) EPHX1ANPEPTAAR1SLC6A2CYP2A6
SCHEMBL10202821 0.87 EPHX1 (0.64) EPHX1ANPEPTAAR1SLC6A2CYP2A6
Hydrochloric Acid SCHEMBL16279669 0.86 EPHX1 (0.76) EPHX1ANPEPTAAR1SLC6A2CYP2A6
Hydrochloric Acid SCHEMBL16279671 0.86 EPHX1 (0.76) EPHX1ANPEPTAAR1SLC6A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310832-B1 ALDEHYDE SCAVENGERS MIXTURES FOR POLYURETHANE FOAMS EVONIK OPERATIONS GMBH (DE) 2023-10-11 EP claimed
US-20210214488-A1 PRODUCTION OF POLYURETHANE SYSTEMS EVONIK OPERATIONS GMBH (DE) 2021-07-15 US claimed
EP-3310824-B1 ALDEHYDE SCAVENGERS FOR POLYURETHANE FOAMS EVONIK OPERATIONS GMBH (DE) 2020-08-12 EP claimed
US-10696777-B2 Aldehyde scavengers mixtures for polyurethane foams EVONIK OPERATIONS GMBH (DE) 2020-06-30 US claimed
US-10683385-B2 Aldehyde scavengers for polyurethane foams EVONIK OPERATIONS GMBH (DE) 2020-06-16 US claimed
US-20190092893-A1 Production Of Polyurethane Systems EVONIK DEGUSSA GMBH (DE) 2019-03-28 US claimed
EP-3459983-A1 MANUFACTURE OF POLYURETHANE SYSTEMS Evonik Degussa GmbH (DE) 2019-03-27 EP claimed
US-20180171064-A1 ALDEHYDE SCAVENGERS FOR POLYURETHANE FOAMS EVONIK OPERATIONS GMBH (DE) 2018-06-21 US claimed
EP-3310832-A1 ALDEHYDE SCAVENGERS MIXTURES FOR POLYURETHANE FOAMS Evonik Degussa GmbH (DE) 2018-04-25 EP claimed
EP-3310824-A1 ALDEHYDE SCAVENGERS FOR POLYURETHANE FOAMS Evonik Degussa GmbH (DE) 2018-04-25 EP claimed
CN-107750260-A Aldehyde for polyurethane foam removes agent composition 赢创德固赛有限公司 2018-03-02 CN claimed
US-20160369035-A1 ALDEHYDE SCAVENGERS MIXTURES FOR POLYURETHANE FOAMS AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-12-22 US claimed
WO-2016205436-A1 ALDEHYDE SCAVENGERS MIXTURES FOR POLYURETHANE FOAMS AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-12-22 WO claimed
CN-102952020-B Method for preparing single or dual-alkyl substitution product of propane diamine TIANJIN SCIPHARMACN LTD 2013-12-11 CN claimed
US-4324553-A OXIDATION COLOR DYES L'OREAL (FR) 1982-04-13 US claimed
US-12129329-B2 Production of polyurethane systems EVONIK OPERATIONS GMBH (DE) 2024-10-29 US disclosed
EP-4380624-A1 MULTIVALENT LIGAND CLUSTERS WITH DIAMINE SCAFFOLD FOR TARGETED DELIVERY OF THERAPEUTIC AGENTS Shanghai Argo Biopharmaceutical Co., Ltd. (CN) 2024-06-12 EP disclosed
US-5021220-A Haluaromatic compound, water-soluble acid, copper salt acid-stable reducing agent MALLINCKRODT, INC. (US) 1991-06-04 US disclosed
US-4942231-A CATALYTIC HALOGENATION IN THE PRESENCE OF A REDUCING AGENT AND ACID MEDIUM MALLINCKRODT, INC. (US) 1990-07-17 US disclosed
EP-0165630-A2 Method of preparing a chlorinated, brominated, radiobrominated, iodinated and/or radioiodinated, aromatic or heteroaromatic compound, as well as a kit for preparing a diagnostic composition on the basis of this compound MALLINCKRODT, INC.(a Missouri corporation) (US) 1985-12-27 EP disclosed