⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26042947 | 0.83 | TSHR (0.48) | — | |
| SCHEMBL28388376 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL9184757 | 0.79 | — | — | |
| SCHEMBL337514 | 0.74 | — | — | |
| SCHEMBL11125158 | 0.74 | — | — | |
| SCHEMBL923155 | 0.74 | — | — | |
| SCHEMBL11490335 | 0.72 | — | — | |
| SCHEMBL17733934 | 0.72 | — | — | |
| SCHEMBL4609958 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL28507249 | 0.72 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170271091-A1 | NON-AQUEOUS ELECTROLYTE, POWER STORAGE DEVICE USING SAME, AND LITHIUM SALT USED FOR SAME | UBE INDUSTRIES, LTD. (JP) | 2017-09-21 | — | — | US | disclosed |
| US-20110230477-A1 | COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS | EUROSCREEN S.A. (BE) | 2011-09-22 | — | — | US | disclosed |
| EP-2295410-A1 | HDAC inhibitor | Chroma Therapeutics Limited (GB) | 2011-03-16 | — | — | EP | disclosed |
| US-7879851-B2 | such as (E)-3-[2-(1-{[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]-amino}-cyclobutyl)-3-methyl-3H-benzoimidazol-5-yl]-acrylic Acid, used for the treatment of hepatitis C virus infections | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-02-01 | — | — | US | disclosed |
| US-20100311741-A1 | Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents | INHIBOX LTD. (GB) | 2010-12-09 | — | — | US | disclosed |
| US-7612148-B2 | Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer | TSRC CORPORATION (TW) | 2009-11-03 | — | — | US | disclosed |
| US-20090170859-A1 | Viral Polymerase Inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-07-02 | — | — | US | disclosed |
| US-20080146733-A1 | Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer | TSRC CORPORATION (TW) | 2008-06-19 | — | — | US | disclosed |