⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23896365 | 0.80 | — | — | |
| SCHEMBL16387160 | 0.78 | SLC1A1 (0.49) | — | |
| SCHEMBL2305983 | 0.78 | MGAM (0.44) | — | |
| SCHEMBL6059371 | 0.78 | SLC1A1 (0.49) | — | |
| Hydrochloric Acid SCHEMBL18103791 | 0.77 | MGAM (0.43) | — | |
| SCHEMBL646475 | 0.77 | HDAC3 (0.42) | — | |
| SCHEMBL644647 | 0.77 | HDAC3 (0.42) | — | |
| SCHEMBL2589071 | 0.75 | TSHR (0.48) | — | |
| SCHEMBL20576997 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL16237539 | 0.75 | HDAC3 (0.41) | — |
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-20100105914-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-29 | — | — | US | disclosed |
| US-20100022584-A1 | Modulation of Glutamine Synthetase Activity | CSIR (ZA) | 2010-01-28 | — | — | US | disclosed |
| US-7652153-B2 | Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, (S,S)-3-[2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-butyrylamino]-4-oxo-5-(2,3,5,6-tetrafluoro-phenoxy)-pentanoic acid | VERTEX PHARMACEUTICALS INCORPORATED | 2010-01-26 | — | — | US | disclosed |
| WO-2008089256-A2 | POLYMERIC THERAPEUTICS | CAPPELLA, INC. (US) | 2008-07-24 | — | — | WO | disclosed |