SCHEMBL2910397

SCHEMBL2910397

[CH2]C#CCN

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
SCHEMBL44897 0.71
SCHEMBL3668087 0.69
Hydrochloric Acid SCHEMBL4462514 0.67
SCHEMBL2204908 0.67
SCHEMBL5985549 0.64
Hydrochloric Acid SCHEMBL980613 0.64 BLM (0.36)
SCHEMBL5984536 0.64
SCHEMBL74382 0.61
SCHEMBL6279248 0.61
SCHEMBL24606238 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060257917-A1 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS MILLIPORE CORPORATION 2006-11-16 US claimed
US-7091348-B2 Fluorescent dyes, energy transfer couples and methods GUAVA TECHNOLOGIES, INC. (US) 2006-08-15 US claimed
EP-1539728-A2 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS Guava Technologies, Inc. (US) 2005-06-15 EP claimed
US-20040073014-A1 Fluorescent dyes, energy transfer couples and methods EMD MILLIPORE CORPORATION 2004-04-15 US claimed
WO-2004003510-A2 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS GUAVA TECHNOLOGIES, INC. (US) 2004-01-08 WO claimed
EP-0386839-B1 Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME (GB) 1997-01-15 EP claimed
US-11390604-B2 Imidazole-pyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3934756-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2022-01-12 EP disclosed
CN-113613722-A Novel imidazole-pyrazole derivatives 豪夫迈·罗氏有限公司 2021-11-05 CN disclosed
WO-2020182648-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-09-17 WO disclosed
US-20200290998-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-17 US disclosed
EP-2689031-B1 FUNCTIONALIZED 3-ALKYNYL PYRAZOLOPYRIMIDINE ANALOGUES AS UNIVERSAL BASES AND METHODS OF USE ELITECHGROUP B V (NL) 2016-10-19 EP disclosed
EP-2971086-A1 FUNCTIONALIZED 3-ALKYNYL PYRAZOLOPYRIMIDINE ANALOGUES AS UNIVERSAL BASES AND METHODS OF USE ELITechGroup B.V. (NL) 2016-01-20 EP disclosed
US-20030224359-A1 TMLEVELING METHODS EPOCH BIOSCIENCES, INC. 2003-12-04 US disclosed
EP-1261616-A2 MODIFIED OLIGONUCLEOTIDES FOR MISMATCH DISCRIMINATION Epoch Biosciences, Inc. (US) 2002-12-04 EP disclosed
WO-2001064958-A2 MODIFIED OLIGONUCLEOTIDES FOR MISMATCH DISCRIMINATION EPOCH BIOSCIENECS, INC. (US) 2001-09-07 WO disclosed
EP-0386839-B1 Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME (GB) 1997-01-15 EP disclosed
US-5472958-A 2-((nitro)phenoxymethyl) heterocyclic compounds that enhance cognitive function ABBOTT LABORATORIES (US) 1995-12-05 US disclosed
US-5231102-A Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME, LTD. (GB) 1993-07-27 US disclosed
EP-0386839-A2 Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME LTD. (GB) 1990-09-12 EP disclosed