⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL730714 | 0.97 | — | — | |
| SCHEMBL11134192 | 0.95 | — | — | |
| SCHEMBL30940538 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL9393513 | 0.95 | — | — | |
| Water SCHEMBL27523845 | 0.95 | — | — | |
| SCHEMBL28174902 | 0.78 | NPC1 (0.32) | — | |
| SCHEMBL27671880 | 0.72 | — | — | |
| SCHEMBL28175602 | 0.72 | — | — | |
| SCHEMBL15286437 | 0.67 | — | — | |
| SCHEMBL30593066 | 0.63 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100588398-C | Substantially pure solid form of the enol tautomer of 3-indolylpyruvic acid for the treatment of central nervous system disorders | POLIFARMA SPA | 2010-02-10 | — | — | CN | disclosed |
| EP-1501503-B1 | SUBSTANTIALLY PURE SOLID FORM OF THE ENOL TAUTOMER OF 3-INDOLYPYRUVIC ACID FOR USE IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISTURBANCES | POLIFARMA SPA (IT) | 2008-12-24 | — | — | EP | disclosed |
| US-20050208125-A1 | Substantially pure solid form of the enol tautomer of 3-indolypyruvic acid for use in the treatmetn of central nervous system disturbances | POLIFARMA S.P.A. (IT) | 2005-09-22 | — | — | US | disclosed |
| CN-1652773-A | Substantially pure solid form of the enol tautomer of 3-indolylpyruvic acid for use in the treatment of central nervous system disorders | POLIFARMA SPA (IT) | 2005-08-10 | — | — | CN | disclosed |
| EP-1501503-A1 | SUBSTANTIALLY PURE SOLID FORM OF THE ENOL TAUTOMER OF 3-INDOLYPYRUVIC ACID FOR USE IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISTURBANCES | POLIFARMA S.p.A. (IT) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003094914-A1 | SUBSTANTIALLY PURE SOLID FORM OF THE ENOL TAUTOMER OF 3-INDOLYLPYRUVIC ACID FOR USE IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISTURBANCES | POLIFARMA S.P.A. (IT) | 2003-11-20 | — | — | WO | disclosed |