SCHEMBL476237

SCHEMBL476237

C=CCC(C)(Br)C(=O)O

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
SCHEMBL16908691 0.77 TSHR (0.41)
SCHEMBL16908690 0.77 TSHR (0.46)
SCHEMBL1376046 0.77 ACLY (0.35)
SCHEMBL7171837 0.75 ALDH1A1 (0.47)
SCHEMBL528085 0.75 TSHR (0.42)
SCHEMBL11812638 0.75 TSHR (0.46)
SCHEMBL293485 0.75
SCHEMBL30513348 0.73
Hydrochloric Acid SCHEMBL8882940 0.73 TSHR (0.41)
SCHEMBL3256852 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773856-B1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSET INC (US) 2012-02-01 EP claimed
US-7601820-B2 Preparation of alkyl-substituted 2-deoxy-2-fluoro-D-ribofuranosyl pyrimidines and purines and their derivatives PHARMASSET, INC. (US) 2009-10-13 US claimed
EP-1773856-A2 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES Pharmasset, Inc. (US) 2007-04-18 EP claimed
US-20060199783-A1 Preparation of alkyl-substituted 2-deoxy-2-fluoro-D-ribofuranosyl pyrimidines and purines and their derivatives PHARMASSETT, INC. (US) 2006-09-07 US claimed
WO-2006012440-A2 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSET, INC. (US) 2006-02-02 WO claimed
EP-4347547-A1 PREPARATION OF AN INTERMEDIATE IN THE SYNTHESIS OF 2-CYCLODODECYL-1-PROPANOL Miltitz Aromatics GmbH (DE) 2024-04-10 EP disclosed
WO-2022253626-A1 PREPARATION OF AN INTERMEDIATE IN THE SYNTHESIS OF 2-CYCLODODECYL-1-PROPANOL MILTITZ AROMATICS GMBH (DE) 2022-12-08 WO disclosed
EP-2348029-A1 Preparation of alkyl-substituted 2-deoxy-2-fluoro-d-ribofuranosyl pyrimidines and purines and their derivatives Pharmasset, Inc. (US) 2011-07-27 EP disclosed
US-7678869-B2 Atom or group transfer radical polymerization CARNEGIE MELLON UNIVERSITY (US) 2010-03-16 US disclosed
US-20060258826-A1 Atom or group transfer radical polymerization CARNEGIE MELLON UNIVERSITY 2006-11-16 US disclosed
EP-0966489-B1 IMPROVEMENTS IN ATOM OR GROUP TRANSFER RADICAL POLYMERIZATION UNIV CARNEGIE MELLON (US) 2006-11-15 EP disclosed
US-7125938-B2 Atom or group transfer radical polymerization CARNEGIE MELLON UNIVERSITY (US) 2006-10-24 US disclosed
EP-0966489-A4 IMPROVEMENTS IN ATOM OR GROUP TRANSFER RADICAL POLYMERIZATION UNIV CARNEGIE MELLON (US) 2002-03-06 EP disclosed
US-6117822-A AS HERBICIDES AND PLANT DESICCANTS AND/OR DEFOLIANTS BASF AKTIENGESELLSCHAFT (DE) 2000-09-12 US disclosed
EP-0966489-A1 IMPROVEMENTS IN ATOM OR GROUP TRANSFER RADICAL POLYMERIZATION CARNEGIE MELLON UNIVERSITY (US) 1999-12-29 EP disclosed
WO-1998040415-A1 IMPROVEMENTS IN ATOM OR GROUP TRANSFER RADICAL POLYMERIZATION CARNEGIE MELLON UNIVERSITY (US) 1998-09-17 WO disclosed
US-5807807-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
US-5707937-A AGRICULTURAL HERBICIDES, DESICCANTS, DEFOLIANTS, HARVESTING AIDS BASF AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed
EP-0601573-A1 Alpha-phosphonocarboxylate squalene synthetase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP disclosed
US-5312814-A Antilipemic agents or anticholesterol agents BRISTOL-MYERS SQUIBB CO. (US) 1994-05-17 US disclosed