SCHEMBL94111

SCHEMBL94111

Cc1cc(C)nc(N)c1

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
SCHEMBL31324837 1.00
Bromide SCHEMBL5755666 0.97 NOS2 (0.95)
SCHEMBL105871 0.85
Trifluoroacetic Acid SCHEMBL1846801 0.80 NOS2 (0.64)
SCHEMBL7489 0.78
SCHEMBL1050198 0.78 NOS3 (0.63)
SCHEMBL9472907 0.78 NOS3 (0.63)
SCHEMBL10399561 0.78
Fluoride SCHEMBL893225 0.76 NOS3 (0.60)
SCHEMBL19816355 0.76 NOS3 (0.60)

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 1545 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240423887-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT KAO CORPORATION (JP) 2024-12-26 US claimed
EP-4408376-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT Kao Corporation (JP) 2024-08-07 EP claimed
CN-118043022-A Composition comprising a dye and an inorganic alkalizing agent 花王株式会社 2024-05-14 CN claimed
CN-111303047-B Synthesis method of 2-amino-4, 6-lutidine 上海阿拉丁生化科技股份有限公司 2023-04-25 CN claimed
WO-2023054558-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT KAO CORPORATION (JP) 2023-04-06 WO claimed
EP-4159184-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT Kao Corporation (JP) 2023-04-05 EP claimed
CN-113771153-B Preparation method of plywood for bakelite box 安捷包装(苏州)股份有限公司 2022-11-15 CN claimed
CN-115210339-A Etching solution for titanium nitride and molybdenum conductive metal wires 弗萨姆材料美国有限责任公司 2022-10-18 CN claimed
CN-112979542-B Pyridine derivative and preparation method thereof 北京理工大学 2022-08-19 CN claimed
CN-113771153-A Preparation method of plywood for bakelite box 安捷包装(苏州)股份有限公司 2021-12-10 CN claimed
WO-2003044018-A1 1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLIC ACID AMIDES NEUROGEN CORPORATION (US) 2003-05-30 WO claimed
EP-1297818-A2 Hair dye KPSS-Kao Professional Salon Services GmbH (DE) 2003-04-02 EP claimed
EP-1250912-A1 Hair dye composition GOLDWELL GmbH (DE) 2002-10-23 EP claimed
US-6384278-B1 REACTING AN AROMATIC AMINE AND AN ALKANOIC ACID OR ESTER IN THE PRESENCE OF A BORON COMPOUND AND OPTIONALLY, A CHELATING AGENT TO PRODUCE AN AROMATIC CARBOXAMIDE SUCH AS 8(5-CHLORO-2 -HYDROXYANILINO)-8-OXOOCTANOIC ACID EMISPHERE TECHNOLOGIES, INC. 2002-05-07 US claimed
EP-0667562-B1 Charge injection barrier for positive charging organic photoconductor HEWLETT PACKARD CO (US) 2001-03-21 EP claimed
CN-1218402-A Increasing implantation rate after in vitro fertilization SCHERING AG (DE) 1999-06-02 CN claimed
EP-0500616-B1 OLIGOMERIC TO POLYMERIC CHARACTER COMPLEXES ATOTECH DEUTSCHLAND GMBH (DE) 1998-01-07 EP claimed
US-5503877-A ORGANONITROGEN, ORGANOMETALLIC POLYMERS OR OLIGOMERS;REDUCTION ATOTECH DEUTSCHALND GMBH (DE) 1996-04-02 US claimed
US-4812572-A DIAZOTIZATION IN HYDROGEN FLUORIDE, DECOMPOSITION UNDER PRESSURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-03-14 US claimed
EP-0196743-A2 Stable chemical compositions containing chromogenic materials and peroxides, and method for obtaining them SAVYON DIAGNOSTICS LTD. (IL) 1986-10-08 EP claimed