⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8022220 | 0.65 | — | — | |
| SCHEMBL1562430 | 0.62 | — | — | |
| SCHEMBL27393 | 0.62 | — | — | |
| SCHEMBL28733048 | 0.60 | ALDH1A1 (0.36) | — | |
| SCHEMBL23244605 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL7545996 | 0.60 | — | — | |
| Potassium SCHEMBL31609876 | 0.60 | — | — | |
| Bromide SCHEMBL17824162 | 0.60 | — | — | |
| SCHEMBL31636743 | 0.60 | — | — | |
| SCHEMBL3635526 | 0.60 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8524657-B2 | Peptidic compounds | UNIVERSITY OF WOLLONGONG (AU) | 2013-09-03 | — | — | US | disclosed |
| EP-1836159-B1 | Antibiotic binaphthyl derivatives | UNIV WOLLONGONG (AU) | 2013-04-10 | — | — | EP | disclosed |
| US-8080526-B2 | Methods and compositions for the treatment of gastrointestinal disorders | IRONWOOD PHARMACEUTICALS, INC. (US) | 2011-12-20 | — | — | US | disclosed |
| US-20110124583-A1 | Methods and Compositions for the Treatment of Gastrointestinal Disorders | IRONWOOD PHARMACEUTICALS, INC. (US) | 2011-05-26 | — | — | US | disclosed |
| EP-2199300-A2 | Peptidic compounds | The University Of Wollongong (AU) | 2010-06-23 | — | — | EP | disclosed |
| US-20080300287-A1 | Peptidic Compounds | UNIVERSITY OF WOLLONGONG (AU) | 2008-12-04 | — | — | US | disclosed |
| CN-1889836-A | Insecticidal n-(heteroarylalkyl)alkanediamine derivatives | FMC CORP (US) | 2007-01-03 | — | — | CN | disclosed |
| EP-1311292-A2 | VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS | Bristol-Myers Squibb Pharma Company (US) | 2003-05-21 | — | — | EP | disclosed |
| WO-2001097861-A2 | VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-12-27 | — | — | WO | disclosed |
| EP-1140864-A2 | VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS | Du Pont Pharmaceuticals Company (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000035887-A2 | VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS | DU PONT PHARM CO (US) | 2000-06-22 | — | — | WO | disclosed |