SCHEMBL689553

SCHEMBL689553

CC(=O)C1=NCCS1

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
SCHEMBL13467059 0.68
Acetic Acid SCHEMBL5037744 0.68 NOS3 (0.70)
SCHEMBL13196187 0.66 NPC1 (0.36)
SCHEMBL9911183 0.65
SCHEMBL8239314 0.64 LMNA (0.58)
SCHEMBL505214 0.58 NOS3 (0.50)
SCHEMBL16474023 0.55 NOS3 (0.46)
SCHEMBL14198599 0.55
SCHEMBL6736939 0.55 NOS3 (0.46)
SCHEMBL12574011 0.48

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12568998-B2 Flavouring composition with balanced taste profile SYMRISE AG (DE) 2026-03-10 US claimed
EP-4615958-A1 CELL COMPOSITIONS Givaudan SA (CH) 2025-09-17 EP claimed
EP-4444108-B1 ALDEHYDE MIXTURES FOR FLAVOUR IMPROVEMENT SYMRISE AG (DE) 2025-09-10 EP claimed
EP-4565194-A1 ODOR AND COLORANT STABILIZED COMPOSITIONS Symrise AG (DE) 2025-06-11 EP claimed
CN-119000986-B Method for judging processing degree of cape jasmine charcoal based on headspace-GC-IMS (gas chromatography-mass spectrometry) differential volatile components 中国中医科学院中药研究所 2025-06-10 CN claimed
US-20250163006-A1 New Coolants, and Preparations Containing Same SYMRISE AG (DE) 2025-05-22 US claimed
CN-119924491-A Flavoring composition with balanced taste characteristics 西姆莱斯有限公司 2025-05-06 CN claimed
CN-119874633-A Oilfield water treatment corrosion inhibitor and synthesis method thereof 中国石油化工股份有限公司 2025-04-25 CN claimed
CN-119744164-A Odor and colorant stable compositions 西姆莱斯股份公司 2025-04-01 CN claimed
CN-119605989-A Hair-blood-hyperactivity-flavor oily essence and preparation method thereof 天津春发生物科技集团有限公司 2025-03-14 CN claimed
EP-1513412-A2 COFFEE AROMA HAVING AN IMPROVED STABILITY Symrise GmbH & Co. KG (DE) 2005-03-16 EP claimed
US-20040202767-A1 Coffee aroma with improved stability SYMRISE AG (DE) 2004-10-14 US claimed
WO-2003101216-A2 COFFEE AROMA HAVING AN IMPROVED STABILITY SYMRISE GMBH & CO. KG (DE) 2003-12-11 WO claimed
US-6432459-B1 FERMENTATION OF SULFUR COMPOUNDS WITH ACIDS IN THE PRESENCE OF YEASTS TO OBTAIN A 2-ACETYL-2-THIAZOLINE; HEAT TREATMENT NESTEC S.A. (SE) 2002-08-13 US claimed
EP-1056356-A1 PROCESS FOR THE PREPARATION OF FLAVOURING COMPOSITIONS AND USE OF THESE COMPOSITIONS IN BAKERY PRODUCTS SOCIETE DES PRODUITS NESTLE S.A. (CH) 2000-12-06 EP claimed
EP-1051085-A1 PROCESS FOR THE PREPARATION OF FLAVOURING COMPOSITIONS AND USE OF THESE COMPOSITIONS IN FOODSTUFFS Société des Produits Nestlé S.A. (CH) 2000-11-15 EP claimed
EP-0951841-A1 Process for the preparation of flavouring compositions and use of these compositions in bakery products SOCIETE DES PRODUITS NESTLE S.A. (CH) 1999-10-27 EP claimed
EP-0951840-A1 Process for the preparation of flavouring compositions and use of these compositions in foodstuffs SOCIETE DES PRODUITS NESTLE S.A. (CH) 1999-10-27 EP claimed
WO-1999033359-A1 PROCESS FOR THE PREPARATION OF FLAVOURING COMPOSITIONS AND USE OF THESE COMPOSITIONS IN FOODSTUFFS SOCIETE DES PRODUITS NESTLE S.A. (CH) 1999-07-08 WO claimed
WO-1999033358-A1 PROCESS FOR THE PREPARATION OF FLAVOURING COMPOSITIONS AND USE OF THESE COMPOSITIONS IN BAKERY PRODUCTS SOCIETE DES PRODUITS NESTLE S.A. (CH) 1999-07-08 WO claimed