⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1866638 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL10912090 | 0.72 | — | — | |
| SCHEMBL2257053 | 0.69 | CHRNB2 (0.30) | — | |
| SCHEMBL7831061 | 0.62 | — | — | |
| SCHEMBL9010330 | 0.61 | — | — | |
| SCHEMBL5277724 | 0.59 | — | — | |
| Bromide SCHEMBL9441275 | 0.58 | — | — | |
| SCHEMBL1872414 | 0.58 | — | — | |
| SCHEMBL2016299 | 0.57 | — | — | |
| SCHEMBL9299179 | 0.56 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8003073-B2 | Dehydrogenation of hydrogen carrier; heat provided by reverse selective oxidation of carrier; endotyhermic reactions | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2011-08-23 | — | — | US | disclosed |
| US-20080260630-A1 | Autothermal Hydrogen Storage and Delivery Systems | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2008-10-23 | — | — | US | disclosed |
| WO-2008103320-A1 | METHODS OF TREATING OPHTHALMIC DISORDERS WITH ANTHRAQUINONES | NOVACEA, INC. (US) | 2008-08-28 | — | — | WO | disclosed |
| WO-2006031719-A2 | 1,4-BIS-N-OXIDE-5,8-DIHYDROXYANTHRACENEDIONE COMPOUNDS AND THE USE THEREOF | NOVACEA, INC. (US) | 2006-03-23 | — | — | WO | disclosed |