⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27761955 | 0.79 | — | — | |
| SCHEMBL6129944 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL8148632 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL4942484 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL17027355 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL330286 | 0.67 | — | — | |
| SCHEMBL28155255 | 0.62 | — | — | |
| SCHEMBL7319078 | 0.60 | — | — | |
| SCHEMBL27705724 | 0.59 | — | — | |
| SCHEMBL1257504 | 0.58 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090060968-A1 | INHIBITORS OF PHOSPHATASES | SAUNDERS JEFFREY O | 2009-03-05 | — | — | US | disclosed |
| US-7439249-B2 | Inhibitors of phosphatases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-10-21 | — | — | US | disclosed |
| EP-1583747-A2 | INHIBITORS OF PHOSPHATASES | Vertex Pharmaceuticals Incorporated (US) | 2005-10-12 | — | — | EP | disclosed |
| US-20040186116-A1 | such as 2-(7-acetylamino-1-furano-2-ylmethyl-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-succinic acid; for treatment of autoimmune diseases, proliferative diseases, angiogenic disorders, and/or cancers; catheters, prosthetics | VERTEX PHARMACEUTICALS INCORPORATED | 2004-09-23 | — | — | US | disclosed |
| WO-2004060878-A2 | INHIBITORS OF PHOSPHATASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-07-22 | — | — | WO | disclosed |