SCHEMBL6082818

SCHEMBL6082818

N#C[C]1C=CC=C(C#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
SCHEMBL22265063 0.74
SCHEMBL22212865 0.67
SCHEMBL17555923 0.62
SCHEMBL5654339 0.62
SCHEMBL6907156 0.62
SCHEMBL7811227 0.60
SCHEMBL23614522 0.60 TSHR (0.33)
SCHEMBL17266179 0.59
SCHEMBL18767405 0.59
SCHEMBL4313937 0.59

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121615-B Ferrocene boracic chiral diphosphine ligand and preparation method and application thereof 南方科技大学 2023-02-17 CN claimed
CN-113121615-A Ferrocene boracic chiral diphosphine ligand and preparation method and application thereof 南方科技大学 2021-07-16 CN claimed
CN-111499538-A Preparation method of (2S,3R) -2-amidomethyl-3-hydroxybutyrate 南方科技大学 2020-08-07 CN claimed
US-7018537-B2 Chiral stationary phases based on derivatives of 4-amino-3,5-dinitrobenzoic acid CHIRALLICA D.O.O. (HR) 2006-03-28 US claimed
CN-117924246-A Pi conjugated compound, organic electroluminescent element material, luminescent thin film, organic electroluminescent element, display device, and lighting device 默克专利有限公司 2024-04-26 CN disclosed
US-20230295490-A1 LIGHT-EMITTING NANOPARTICLES AND LIGHT-EMITTING LABELING MATERIAL FOR PATHOLOGICAL DIAGNOSIS Konica Minolta, Inc. (JP) 2023-09-21 US disclosed
CN-113121615-B Ferrocene boracic chiral diphosphine ligand and preparation method and application thereof 南方科技大学 2023-02-17 CN disclosed
CN-111499538-B Preparation method of (2S, 3R) -2-acylaminomethyl-3-hydroxybutyrate 南方科技大学 2023-02-17 CN disclosed
US-11358951-B2 Π(PI)-conjugated compound, organic electroluminescence element material, light-emitting material, light-emitting thin film, organic electroluminescence element, display device, and illumination device MERCK PATENT GMBH (DE) 2022-06-14 US disclosed
WO-2021261398-A1 LIGHT-EMITTING NANOPARTICLES AND LIGHT-EMITTING LABELING MATERIAL FOR PATHOLOGICAL DIAGNOSIS コニカミノルタ株式会社 2021-12-30 WO disclosed
CN-113121615-A Ferrocene boracic chiral diphosphine ligand and preparation method and application thereof 南方科技大学 2021-07-16 CN disclosed
CN-111499538-A Preparation method of (2S,3R) -2-amidomethyl-3-hydroxybutyrate 南方科技大学 2020-08-07 CN disclosed
US-20180170914-A1 II(PI)-CONJUGATED COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, LIGHT-EMITTING MATERIAL, LIGHT-EMITTING THIN FILM, ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE Konica Minolta, Inc. (JP) 2018-06-21 US disclosed
US-4152481-A Enhancing flame retardancy with organobromosilicone fluids DOW CORNING CORPORATION (US) 1979-05-01 US disclosed
US-4042563-A Enhancing flame retardancy with arylorganobromosilicone compounds DOW CORNING CORPORATION (US) 1977-08-16 US disclosed
US-4031121-A FIREPROOFING DOW CORNING CORPORATION (US) 1977-06-21 US disclosed
US-4031122-A Arylorganobromosilicone compounds DOW CORNING CORPORATION (US) 1977-06-21 US disclosed