SCHEMBL2549012

SCHEMBL2549012

NCCNCc1ccccc1O

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.78
CA2 P00918 5/20 0.78
CA9 Q16790 4/20 0.78
TSHR P16473 2/20 0.78
KDM4E B2RXH2 1/20 0.78
HSD17B10 Q99714 1/20 0.78
MPO P05164 10/20 0.70
SLC6A4 P31645 2/20 0.70
CYP2D6 P10635 1/20 0.69
HIF1A Q16665 1/20 0.69
PKM P14618 1/20 0.56
TAAR1 Q96RJ0 1/20 0.55

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 SCHEMBL8945386 0.98 CA12 (0.75) CA12CA2CA9TSHRKDM4E
SCHEMBL29134037 0.98 CA12 (0.75) CA12CA2CA9TSHRKDM4E
SCHEMBL7914586 0.96 CA12 (0.78) CA12CA2CA9TSHRKDM4E
SCHEMBL12996038 0.96 CA12 (0.78) CA12CA2CA9TSHRKDM4E
SCHEMBL9098622 0.92 CA12 (0.79) CA12CA2CA9TSHRKDM4E
Acetic Acid SCHEMBL2465801 0.90 CA12 (0.64) CA12CA2CA9TSHRKDM4E
SCHEMBL18096448 0.88 CA12 (0.77) CA12CA2CA9TSHRKDM4E
SCHEMBL11241212 0.88 CA12 (1.00) CA12CA2CA9TSHRKDM4E
SCHEMBL31532322 0.87 CA12 (1.00) CA12CA2CA9TSHRKDM4E
SCHEMBL2794849 0.87 CA12 (1.00) CA12CA2CA9TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836371-A Imidazole complex norbornene copolymer and preparation method and application thereof 国家粮食和物资储备局科学研究院 2023-10-03 CN claimed
CN-115353853-B Double-component polyurethane adhesive and preparation method and application thereof 杭州之江有机硅化工有限公司 2023-08-01 CN claimed
CN-115353853-A Two-component polyurethane adhesive and preparation method and application thereof 杭州之江有机硅化工有限公司 2022-11-18 CN claimed
CN-105873691-B Cleaning formulation for removing residues on surfaces 富士胶片电子材料美国有限公司 2018-04-20 CN claimed
CN-107743480-A The method for preparing phenol EDDA compound 阿克苏诺贝尔化学品国际有限公司 2018-02-27 CN claimed
CN-107709287-A The method for preparing phenol EDDA compound 阿克苏诺贝尔化学品国际有限公司 2018-02-16 CN claimed
CN-105873691-A Cleaning formulation for removing residues on surfaces 富士胶片电子材料美国有限公司 2016-08-17 CN claimed
EP-0868397-A1 STABILISED HYDROXYLAMINE SOLUTIONS BASF AKTIENGESELLSCHAFT (DE) 1998-10-07 EP claimed
WO-1997022549-A1 STABILISED HYDROXYLAMINE SOLUTIONS BASF AKTIENGESELLSCHAFT (DE) 1997-06-26 WO claimed
EP-4484952-A2 OPTIMIZED PEPTIDES FOR TARGETING HUMAN NERVES AND THEIR USE IN IMAGE GUIDED SURGERY, DIAGNOSTICS AND THERAPEUTIC DELIVERY The Regents of the University of California (US) 2025-01-01 EP disclosed
EP-3661539-B1 OPTIMIZED PEPTIDES FOR TARGETING HUMAN NERVES AND THEIR USE IN IMAGE GUIDED SURGERY, DIAGNOSTICS AND THERAPEUTIC DELIVERY UNIV CALIFORNIA (US) 2024-10-09 EP disclosed
US-20240191194-A1 METHOD FOR PRODUCING CULTURE CELLS REQUIRING A SUPPLY OF FERRIC IRON Safi Biotherapeutics Inc. 2024-06-13 US disclosed
EP-4308689-A1 METHOD FOR PRODUCING CULTURE CELLS REQUIRING A SUPPLY OF FERRIC IRON Erypharm (FR) 2024-01-24 EP disclosed
CN-115353853-B Double-component polyurethane adhesive and preparation method and application thereof 杭州之江有机硅化工有限公司 2023-08-01 CN disclosed
WO-1998056334-A1 COMPOSITIONS FOR DELIVERY OF BIOLOGICAL AGENTS AND METHODS FOR THE PREPARATION THEREOF UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) 1998-12-17 WO disclosed
WO-1998056348-A1 COMPOSITIONS FOR DELIVERY OF BIOLOGICAL AGENTS AND METHODS FOR THE PREPARATION THEREOF UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) 1998-12-17 WO disclosed
EP-0877078-A2 Bleach activating metal complex Clariant GmbH (DE) 1998-11-11 EP disclosed
US-5539138-A High affinity chelates containing isothiocyanate groups, useful for coupling with peptides and proteins MERCK FROSST CANADA, INC. (CA) 1996-07-23 US disclosed
US-5405601-A Functionalized tripodal ligands for imaging applications MALLINCKRODT MEDICAL INC. (US) 1995-04-11 US disclosed
EP-0267668-B1 TRI- OR TETRA-2-HYDROXYBENZYL-1,2-DIAMINOALKANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR EXTRACTION OF GALLIUM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-10 EP disclosed