SCHEMBL78890

SCHEMBL78890

N=C=Nc1ccc[nH]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
SCHEMBL6314160 0.76
SCHEMBL6311009 0.76
SCHEMBL3221479 0.72
SCHEMBL3194313 0.71 DAO (0.35)
SCHEMBL544524 0.71 DAO (0.35)
SCHEMBL544525 0.71 DAO (0.35)
SCHEMBL967615 0.67
SCHEMBL2776642 0.62 ALDH1A1 (0.38)
SCHEMBL22577718 0.62
SCHEMBL8628360 0.62

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

Appears in 2864 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079971-A Preparation method of rotigotine degradation impurity 2026-05-26 CN claimed
US-20250326751-A1 PROCESS FOR PRODUCING ACYLOXYMETHYL ESTERS OF (4S)-(4-CYANO-2-METHOXYPHENYL)-5-ETHOXY-2,8-DIMETHYL-1,4-DIHYDRO-1,6-NAPHTHYRIDIN-3-CARBOXYLIC ACID BAYER AG (DE) 2025-10-23 US claimed
US-20250270204-A1 PROCESS FOR THE PREPARATION OF 2-CYANOETHYL (4S)-4-(4-CYANO-2-METHOXY-PHENYL)-5-HYDROXY-2,8-DIMETHYL-1,4-DIHYDRO-1,6-NAPHTHYRIDIN-3-CARBOXYLATE BY RACEMATE SEPARATION BY MEANS OF DIASTEREOMERIC TARTARIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 2025-08-28 US claimed
US-12365679-B2 Process for producing acyloxymethyl esters of (4S)-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridin-3-carboxylic acid BAYER AKTIENGESELLSCHAFT (DE) 2025-07-22 US claimed
EP-4558186-A1 HYDROGEL WITH A HYDROPHILIC THICKENING POLYMER AND PARTICLES OF EGGSHELL MEMBRANE, AND ITS BIOPRINTED PRODUCTS Université Côte d'Azur (FR) 2025-05-28 EP claimed
CN-119529222-A Flexible photosensitive polyurethane film and preparation method thereof 广东工业大学 2025-02-28 CN claimed
CN-119500264-A Alkynyl-modified metal oxide carrier-enhanced metal nanoparticle supported catalyst and preparation method and application thereof 宁夏大学 2025-02-25 CN claimed
CN-119504782-A Preparation and application of ferulic acid-biotin conjugate 成都理工大学 2025-02-25 CN claimed
CN-117551050-B Preparation method of zolmitriptan key intermediate 湖北天义药业有限公司 2024-11-08 CN claimed
CN-118724998-A Cholic acid choline conjugate and preparation method and application thereof 安徽中医药大学 2024-10-01 CN claimed
EP-0531452-A1 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES NeXstar Pharmaceuticals, Inc. (US) 1993-03-17 EP claimed
EP-0354916-B1 NEUTRALIZATION OF HEPARIN MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-09-30 EP claimed
WO-1992006678-A1 BIOCOMPATIBLE MICROCAPSULES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-04-30 WO claimed
EP-0234083-B1 CARRIER FOR A BIOLOGICALLY ACTIVE COMPONENT FOR IMMUNOASSAY OR ENZYMATIC REACTION TOSOH CORPORATION (JP) 1992-04-15 EP claimed
WO-1991018914-A1 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES VICAL, INC. (US) 1991-12-12 WO claimed
EP-0354916-A1 NEUTRALIZATION OF HEPARIN. MASSACHUSETTS INST TECHNOLOGY (US) 1990-02-21 EP claimed
US-4851210-A IMMUNOSPECIFIC BINDING OF ERYTHROCYTES TO MICROPOROUS MEMBRANE AND SUPPORT GENELABS INCORPORATED (US) 1989-07-25 US claimed
WO-1988006899-A2 NEUTRALIZATION OF HEPARIN MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1988-09-22 WO claimed
EP-0234083-A2 Carrier for a biologically active component for immunoassay or enzymatic reaction TOSOH CORPORATION (JP) 1987-09-02 EP claimed
EP-0165572-A2 Herbicidal sulfonyl urea SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-12-27 EP claimed