⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL127940 | 1.00 | — | — | |
| SCHEMBL2352272 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27821555 | 0.97 | TDP1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL2148362 | 0.97 | TDP1 (0.38) | — | |
| Butane SCHEMBL2148303 | 0.95 | FNTA (0.39) | — | |
| Chloromethane SCHEMBL1802806 | 0.95 | TDP1 (0.36) | — | |
| SCHEMBL1345204 | 0.80 | — | — | |
| SCHEMBL9445036 | 0.80 | — | — | |
| SCHEMBL1276172 | 0.79 | HDAC3 (0.43) | — | |
| SCHEMBL3596261 | 0.79 | HDAC3 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0326389-B1 | Process for preparing 4-hydroxypyrimidine | UBE INDUSTRIES (JP) | 1996-09-11 | — | — | EP | claimed |
| US-20090163535-A1 | Substituted Heteroarylalkanoic Acids | THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) | 2009-06-25 | — | — | US | disclosed |
| EP-1444228-B1 | SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS | INST FOR PHARM DISCOVERY INC (US) | 2008-05-21 | — | — | EP | disclosed |
| US-7361671-B2 | Substituted heteroarylalkanoic acids | THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) | 2008-04-22 | — | — | US | disclosed |
| EP-1444228-A2 | SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS | The Institutes for Pharmaceutical Discovery, LLC (US) | 2004-08-11 | — | — | EP | disclosed |
| US-20030166668-A1 | Substituted heteroarylalkanoic acids | THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. A CORPORATION OF THE STATE OF DELAWARE | 2003-09-04 | — | — | US | disclosed |
| WO-2003044015-A2 | SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS | THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) | 2003-05-30 | — | — | WO | disclosed |