SCHEMBL3295397

SCHEMBL3295397

CC1(OC(=O)Cl)CCC1

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
SCHEMBL10702855 0.95 CYP19A1 (0.40)
SCHEMBL318859 0.93 CYP19A1 (0.42)
SCHEMBL1245099 0.90
SCHEMBL3296993 0.78 SCN1A (0.57)
SCHEMBL3297217 0.78 SCN1A (0.42)
SCHEMBL1928919 0.77
SCHEMBL114185 0.75
SCHEMBL19041418 0.75 CYP19A1 (0.40)
SCHEMBL12986568 0.74 CYP19A1 (0.42)
SCHEMBL13885160 0.73 CYP19A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627832-A Preparation method for synthesizing tenofovir alafenamide by oxidation method 江西农业大学 2019-12-31 CN claimed
CN-110627832-A Preparation method for synthesizing tenofovir alafenamide by oxidation method 江西农业大学 2019-12-31 CN disclosed
US-7727434-B2 Membranes and methods of treating membranes GENERAL ELECTRIC COMPANY (US) 2010-06-01 US disclosed
US-20070039874-A1 Membranes and methods of treating membranes GENERAL ELECTRIC COMPANY 2007-02-22 US disclosed
US-20040138185-A1 Process for the preparation of 3-glutamido bile ester derivatives using n-prtotected methyl proglutamate BROCCHETTA MARINO 2004-07-15 US disclosed
EP-1358201-A1 A PROCESS FOR THE PREPARATION OF 3-GLUTAMIDO BILE ESTER DERIVATIVES USING N-PROTECTED METHYL PYROGLUTAMATE BRACCO IMAGING S.p.A. (IT) 2003-11-05 EP disclosed
WO-2002068449-A1 A PROCESS FOR THE PREPARATION OF 3-GLUTAMIDO BILE ESTER DERIVATIVES USING N-PRTOTECTED METHYL PROGLUTAMATE BRACCO IMAGING S.P.A. (IT) 2002-09-06 WO disclosed
US-3948971-A N-protected-α-amino acid compounds MERCK & CO., INC. (US) 1976-04-06 US disclosed