SCHEMBL84678

SCHEMBL84678

CNc1ccsc1

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
Iodide SCHEMBL29051968 0.97
Hydrochloric Acid SCHEMBL5359669 0.97
Bromide SCHEMBL29051995 0.97
SCHEMBL22626273 0.79
SCHEMBL3185782 0.77 CYP2A6 (0.36)
Isophthalic Acid SCHEMBL28071489 0.76 LCK (0.47)
SCHEMBL16375393 0.74 CYP2A6 (0.52)
SCHEMBL10459073 0.72
SCHEMBL9753998 0.72
SCHEMBL28938372 0.72 HPGD (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106749166-B Preparation and application of multi-iodine salt photoconductive material 南京工业大学 2020-03-20 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-102781419-A Skin lightening compositions ELC MAN LLC 2012-11-14 CN claimed
EP-0582789-B1 Novel 7-(substituted)-8-(substituted)-9-(substituted glycyl)amido-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID CO (US) 2001-10-04 EP claimed
CN-1034216-C 7-(substituted)-9-[(substituted glycyl) amido]-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID CO (US) 1997-03-12 CN claimed
CN-1033971-C 9-[(substituted glycyl) amido]-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID CO (US) 1997-02-05 CN claimed
CN-1087899-A The 9-[(substituted glycyl) amido)]-6-demethyl-6-deoxidation tsiklomitsin AMERICAN CYANAMID CO (US) 1994-06-15 CN claimed
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US claimed
US-4298741-A DETHIAPENICILLIN ANTIBIOTICS MERCK & CO., INC. (US) 1981-11-03 US claimed
US-20250361236-A9 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2025-11-27 US disclosed
WO-2025067473-A1 BENZENE RING-CONTAINING COMPOUND HAVING ANALGESIC EFFECT, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川大学华西医院 2025-04-03 WO disclosed
US-20240400568-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2024-12-05 US disclosed
EP-4445902-A2 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2024-10-16 EP disclosed
EP-4081305-B1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES INC (JP) 2024-09-18 EP disclosed
US-4196211-A ANTIBIOTIC MERCK & CO., INC. (US) 1980-04-01 US disclosed
US-4194047-A Substituted N-methylene derivatives of thienamycin MERCK & CO., INC. (US) 1980-03-18 US disclosed
US-4172144-A Schiff's base derivatives of thienamycin MERCK & CO., INC. (US) 1979-10-23 US disclosed
EP-0002210-A1 6- and 6,6- disubstituted-2-substituted-pen-2-em-3-carboxylic acids; processes for their preparation and pharmaceutical compositions containing such compounds MERCK & CO. INC. (US) 1979-06-13 EP disclosed
US-4150145-A ANTIBIOTIC, BACTERICIDES MERCK & CO., INC. (US) 1979-04-17 US disclosed
EP-0001264-A1 Substituted N-methylene derivatives of thienamycin sulfoxide and sulfone and their preparation MERCK & CO. INC. (US) 1979-04-04 EP disclosed