SCHEMBL179728

SCHEMBL179728

OC1=CC=CC=CN1

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
Hydrochloric Acid SCHEMBL4326259 0.97
Hydrochloric Acid SCHEMBL6507476 0.97
Bromide SCHEMBL28748013 0.97
SCHEMBL28172221 0.92
SCHEMBL28166931 0.69
SCHEMBL28267747 0.67
Hydrochloric Acid SCHEMBL28176836 0.67
SCHEMBL446759 0.67
SCHEMBL3851809 0.65
SCHEMBL1867697 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115768423-A Inhibitors of EGFR, KRAS, BRAF and other targets and uses thereof 密歇根大学董事会 2023-03-07 CN claimed
EP-3440067-B1 TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2021-05-26 EP claimed
CN-105051032-B Antibody connexon drug conjugates, its preparation method and the anticancer pharmaceutical composition comprising it 赛特瑞恩股份有限公司 2017-08-15 CN claimed
EP-1904483-A1 BENZIMIDAZOLE DERIVATIVES AS 5-HT6,5-HT24 F. Hoffmann-Roche AG (CH) 2008-04-02 EP claimed
CN-1326838-C Benzo[d]azepine derivatives for the treatment of neurological disorders GLAXO GROUP LTD (GB) 2007-07-18 CN claimed
WO-2007006677-A1 BENZIMIDAZOLE DERIVATIVES AS 5-HT6,5-HT24 F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO claimed
US-20070015744-A1 Benzimidazolone and dihydroindolone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-01-18 US claimed
EP-1713790-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID (S)-3-METHYL-1- ((4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZ EPAN-4-YLCARBAMOYL-BUTYL)-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP claimed
WO-2005069981-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[(4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZEPAN-4-YLCARBAMOYL]-BUTYL}-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2005-08-04 WO claimed
WO-2005042491-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-05-12 WO claimed
CN-119570825-A Method for efficiently synthesizing protoberberine compounds and application thereof 中国科学院分子植物科学卓越创新中心 2025-03-07 CN disclosed
CN-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 CN disclosed
CN-115768423-A Inhibitors of EGFR, KRAS, BRAF and other targets and uses thereof 密歇根大学董事会 2023-03-07 CN disclosed
CN-115047104-A Method for rapidly detecting illegal addition of 36 antihistamines in cosmetics 重庆市食品药品检验检测研究院 2022-09-13 CN disclosed
US-20220017433-A1 PHOTOCHEMICALLY INDUCED CONJUGATION OF RADIOMETALS TO SMALL MOLECULES, PEPTIDES AND NANOPARTICLES IN A SIMULTANEOUS ONE-POT REACTION Universität Zürich (CH) 2022-01-20 US disclosed
US-5580979-A Phosphotyrosine peptidomimetics for inhibiting SH2 domain interactions TRUSTEES OF TUFTS UNIVERSITY (US) 1996-12-03 US disclosed
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1995025118-A2 INHIBITORS OF SH2 DOMAIN INTERACTIONS TRUSTEES OF TUFTS UNIVERSITY (US) 1995-09-21 WO disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed
CN-1035724-A Photosensitive silve halide material FUJI PHOTO FILM CO LTD (JP) 1989-09-20 CN disclosed