⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10949465 | 0.80 | — | — | |
| SCHEMBL6618960 | 0.78 | — | — | |
| SCHEMBL5248526 | 0.78 | — | — | |
| SCHEMBL11175430 | 0.78 | — | — | |
| SCHEMBL469689 | 0.77 | — | — | |
| SCHEMBL11175424 | 0.76 | — | — | |
| SCHEMBL10530231 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL36403 | 0.75 | — | — | |
| SCHEMBL4688208 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL4869307 | 0.75 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013025790-A2 | NO- AND H2S- RELEASING COMPOUNDS | RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) | 2013-02-21 | — | — | WO | disclosed |
| US-8114857-B2 | Derivatives of 4- or 5-aminosalicylic acid | ANTIBE THERAPEUTICS INC. (CA) | 2012-02-14 | — | — | US | disclosed |
| US-8114858-B2 | Derivatives of 4- or 5-aminosalicylic acid | ANTIBE THERAPEUTICS INC. (CA) | 2012-02-14 | — | — | US | disclosed |
| US-20110130368-A1 | DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID | ANTIBE THERAPEUTICS INC. (CA) | 2011-06-02 | — | — | US | disclosed |
| US-20110098257-A1 | DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID | ANTIBE THERAPEUTICS INC. (CA) | 2011-04-28 | — | — | US | disclosed |
| US-7910568-B2 | Inflammatory bowel disease, irritable bowel syndrome, Crohn's disease, ulcerative colitis, gastrointestinal disorders; prevention/treatment of colon cancer; releases hydrogen sulfide | ANTIBE THERAPEUTICS INC. (CA) | 2011-03-22 | — | — | US | disclosed |
| US-20090143592-A1 | Glucagon Antagonists/Inverse Agonists | NOVO NORDISK A/S (DK) | 2009-06-04 | — | — | US | disclosed |