⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28728045 | 1.00 | — | — | |
| SCHEMBL4755489 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL27845939 | 0.97 | — | — | |
| SCHEMBL14069971 | 0.79 | — | — | |
| SCHEMBL4970428 | 0.78 | GABRR1 (0.46) | — | |
| SCHEMBL14795097 | 0.77 | — | — | |
| SCHEMBL10400013 | 0.77 | DPP4 (0.32) | — | |
| SCHEMBL7143796 | 0.76 | — | — | |
| SCHEMBL5400126 | 0.75 | — | — | |
| SCHEMBL17634066 | 0.75 | TP53 (0.33) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9777024-B2 | Heteroaryl inhibitors of PDE4 | Tetra Discovery Partners, LLC (US) | 2017-10-03 | — | — | US | disclosed |
| US-20160368946-A1 | TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS | ONYX THERAPEUTICS, INC. | 2016-12-22 | — | — | US | disclosed |
| US-9434761-B2 | Tripeptide epoxy ketone protease inhibitors | ONYX THERAPEUTICS, INC. (US) | 2016-09-06 | — | — | US | disclosed |
| US-20160137672-A1 | HETEROARYL INHIBITORS OF PDE4 | Tetra Discovery Partners, LLC | 2016-05-19 | — | — | US | disclosed |
| US-20150376120-A1 | ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS | Technische Universität Berlin (DE) | 2015-12-31 | — | — | US | disclosed |
| US-9221843-B2 | Heteroaryl inhibitors of PDE4 | Tetra Discovery Partners, LLC (US) | 2015-12-29 | — | — | US | disclosed |
| US-9062028-B2 | Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-06-23 | — | — | US | disclosed |
| US-20150119362-A1 | HETEROARYL INHIBITORS OF PDE4 | Tetra Discovery Partners, LLC | 2015-04-30 | — | — | US | disclosed |
| WO-2014066659-A9 | HETEROARYL INHIBITORS OF PDE4 | TETRA DISCOVERY PARTNERS, LLC. (US) | 2015-02-12 | — | — | WO | disclosed |
| US-20140080788-A1 | NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY | 2014-03-20 | — | — | US | disclosed |
| US-8367666-B2 | 3-carbamoyl-2-pyridone derivatives | SHIONOGI & CO., LTD. (JP) | 2013-02-05 | — | — | US | disclosed |
| US-20120208813-A1 | 3-CARBAMOYL-2-PYRIDONE DERIVATIVES | SHIONOGI & CO., LTD. | 2012-08-16 | — | — | US | disclosed |
| US-8178681-B2 | methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency | SHIONOGI & CO., LTD. (JP) | 2012-05-15 | — | — | US | disclosed |