SCHEMBL61745

SCHEMBL61745

CC1=NC=C[N]1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL2041196 0.57
SCHEMBL3655474 0.57
SCHEMBL3937451 0.57
SCHEMBL7009257 0.54
SCHEMBL11532570 0.48
SCHEMBL895221 0.40
SCHEMBL11277497 0.40
SCHEMBL1468768 0.40
SCHEMBL2791127 0.38
SCHEMBL8109982 0.38 TSHR (0.57)

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 1311 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903448-A Polymer material of azacyclo olefin coordinated metal monoatom, preparation method and application thereof 江西师范大学 2024-04-19 CN claimed
US-11814364-B2 Pyridine N-oxide derivatives useful as factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-11-14 US claimed
EP-4232444-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2023-08-30 EP claimed
EP-3966203-B1 A METHOD FOR FUNCTIONALIZATION OF AN AROMATIC AMINO ACID OR A NUCLEOBASE CF PLUS CHEMICALS S R O (CZ) 2023-04-19 EP claimed
US-20230091768-A1 PYRIDINE N-OXIDE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-03-23 US claimed
US-20230083973-A1 SUBSTITUTED CYCLOPROPYL-2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-03-16 US claimed
CN-115385886-A AcrB efflux pump inhibitor and preparation method and application thereof 山东大学 2022-11-25 CN claimed
US-20220177514-A1 A METHOD FOR FUNCTIONALIZATION OF AN AROMATIC AMINO ACID OR A NUCLEOBASE CF Plus Chemicals s.r.o. (CZ) 2022-06-09 US claimed
EP-4007578-A1 SUBSTITUTED CYCLOPROPYL-2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma, Inc. (US) 2022-06-08 EP claimed
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 WO claimed
US-4570000-A HISTAMINE HH-2 ANTAGONISTS; GASTROINTESTINAL DISORDERS IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1986-02-11 US claimed
EP-0060696-B1 NITROGEN HETEROCYCLES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-15 EP claimed
EP-0166533-A1 Quinolone inotropic agents Pfizer Limited (GB) 1986-01-02 EP claimed
EP-0009683-B1 BASIC PHENYL ETHERS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THE PREPARATION OF THESE ETHERS AND COMPOSITIONS MERCK PATENT GmbH (DE) 1983-08-10 EP claimed
EP-0018542-B1 PHENOTHIAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION MERCK PATENT GmbH (DE) 1983-03-02 EP claimed
EP-0060696-A1 Nitrogen heterocycles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-22 EP claimed
US-4289768-A HYPOTENSIVE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-09-15 US claimed
US-4241168-A TWO-EQUIVALENT MAGENTA COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1980-12-23 US claimed
EP-0018542-A1 Phenothiazine derivatives, pharmaceutical compositions containing them and process for their preparation MERCK PATENT GmbH (DE) 1980-11-12 EP claimed
EP-0009683-A1 Basic phenyl ethers, pharmaceutical compositions containing them and the preparation of these ethers and compositions MERCK PATENT GmbH (DE) 1980-04-16 EP claimed