⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3603014 | 0.89 | — | — | |
| SCHEMBL3590203 | 0.85 | — | — | |
| SCHEMBL3602491 | 0.77 | — | — | |
| SCHEMBL658187 | 0.77 | — | — | |
| SCHEMBL2473349 | 0.73 | — | — | |
| SCHEMBL3595922 | 0.73 | CYP3A4 (0.30) | — | |
| SCHEMBL656625 | 0.73 | — | — | |
| SCHEMBL660330 | 0.72 | — | — | |
| SCHEMBL659356 | 0.72 | — | — | |
| SCHEMBL933085 | 0.69 | PTGS1 (0.38) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7741497-B2 | Processes for preparing alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound and 4-acyltetrahydropyrane | UBE INDUSTRIES, LTD. (JP) | 2010-06-22 | — | — | US | 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 |
| US-7741497-B2 | Processes for preparing alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound and 4-acyltetrahydropyrane | UBE INDUSTRIES, LTD. (JP) | 2010-06-22 | — | — | US | 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 |
| US-7465815-B2 | Cannabinoid receptor modulator | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-12-16 | — | — | US | disclosed |
| US-20080021087-A1 | Cannabinoid receptor modulator | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2008-01-24 | — | — | US | disclosed |
| US-20070099990-A1 | Cannabinoid receptor modulator | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-05-03 | — | — | US | disclosed |
| US-20070043107-A1 | Processes for preparing alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound and 4-acyltetrahydropyrane | UBE INDUSTRIES, LTD. (JP) | 2007-02-22 | — | — | US | disclosed |
| EP-1700852-A1 | PROCESSES FOR PRODUCING ALKYL 3-(4-TETRAHYDROPYRANYL)-3-OXOPROPIONATE COMPOUND AND 4-ACYLTETRAHYDROPYRAN | Ube Industries, Ltd. (JP) | 2006-09-13 | — | — | EP | disclosed |
| EP-1637527-A1 | CANNABINOID RECEPTOR MODULATOR | Takeda Pharmaceutical Company Limited (JP) | 2006-03-22 | — | — | EP | disclosed |