SCHEMBL3602073

SCHEMBL3602073

Cc1c(C)c2c(c(C)c1N)C(c1ccc(C(C)C)cc1)C(C)(C)O2

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
SCHEMBL3606206 0.95
SCHEMBL4039502 0.88 PTGS1 (0.31)
SCHEMBL2473357 0.86
SCHEMBL2476852 0.86
Hydrochloric Acid SCHEMBL4699794 0.85
SCHEMBL3595127 0.83 IDO1 (0.32)
SCHEMBL3597923 0.83 DGAT1 (0.34)
SCHEMBL3599238 0.83 ALOX5 (0.33)
SCHEMBL4754700 0.83 BCHE (0.30)
SCHEMBL3594071 0.82 HPGD (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346988-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2,3-DIHYDRO- BENZOFURAN COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-11-12 EP claimed
US-6878831-B2 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-04-12 US claimed
US-20040077712-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US claimed
EP-1346988-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2,3-DIHYDRO- BENZOFURAN COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-09-24 EP claimed
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 EP disclosed
US-5770772-A 4-FORMYLAMINO-2,3,5-TRIMETHYL-1-(2-METHYL-2-PROPENYLOXY) -BENZENE; ARTERIOSCLEROSIS, BRAIN AND CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-23 US disclosed
US-5594154-A 5-AMINO-2-BROMOMETHYL-2,4,6,7-TETRAMETHYL-2,3-DIHYDROBENZO(B) FURANS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
US-5478844-A Method of using aminocoumaran derivatives for treating cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
EP-0483772-B1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-09-13 EP disclosed
US-5376681-A Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-27 US disclosed
CN-1071165-A Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-04-21 CN disclosed
EP-0483772-A1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-06 EP disclosed