SCHEMBL4934846

SCHEMBL4934846

[CH2]CCCCc1c[nH]nn1

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
SCHEMBL9428449 0.98
SCHEMBL268961 0.94
SCHEMBL270498 0.85
SCHEMBL9082457 0.81
SCHEMBL9082275 0.79 CYP4F2 (0.32)
SCHEMBL27350162 0.79 HRH1 (0.40)
SCHEMBL628308 0.79 KCNH2 (0.44)
SCHEMBL16243885 0.79 CA12 (0.32)
SCHEMBL16196855 0.78 KCNH2 (0.47)
SCHEMBL3021563 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063550-A Novel brucella-resistant polypeptide and preparation method and application thereof 包头市第四医院 2024-05-24 CN disclosed
US-20080064679-A1 Water Soluble Cannabinoids ORGANIX INC. 2008-03-13 US disclosed
WO-2006012176-A1 WATER-SOLUBLE CANNABINOIDS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2006-02-02 WO disclosed
US-6066672-A OF GIVEN FORMULA COMPRISING A SUBSTITUTED AMINOALKYL(AMIDO OR ALKYLAMINO)ALKYL(AMIDO OR ALKYLAMINO)ALKYL(ALKENE, ALKYL OR ALKOXYCARBONYL) TAISHO PHARMACEUTICAL CO., LTD. (JP) 2000-05-23 US disclosed
EP-0882699-A1 AMINO COMPOUNDS AND ANGIOTENSIN IV RECEPTOR AGONISTS TAISHO PHARMACEUTICAL CO. LTD (JP) 1998-12-09 EP disclosed
EP-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP disclosed
EP-0688324-A1 NOVEL 3-(SUBSTITUTED METHYL)-4-OXA-1-AZABICYCLO 3.2.0]HEPTAN-7-ONE DERIVATIVES USEFUL AS ANTITUMOR AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-12-27 EP disclosed
US-5306816-A Processes for preparing carbapenem derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0280771-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-28 EP disclosed
EP-0499196-A1 Intermediates and process for preparing carbapenem derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-19 EP disclosed
US-5061804-A 3-thiopyrrolidine as chemical intermediates FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4963543-A BACTERICIDES, TREATING INFECTIOUS DISEASES; THIENAMYCINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US disclosed
EP-0280771-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 EP disclosed