⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11780790 | 0.79 | — | — | |
| SCHEMBL10892384 | 0.79 | — | — | |
| SCHEMBL4645357 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL1030751 | 0.77 | — | — | |
| SCHEMBL10882351 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL187765 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL8004094 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL15313305 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL6561830 | 0.73 | TSHR (0.56) | — | |
| SCHEMBL4333562 | 0.73 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1009377-A4 | MEDICAL USES OF PYRUVATES | UNIV CASE WESTERN RESERVE (US) | 2004-01-21 | — | — | EP | disclosed |
| US-6086789-A | SKIN INJURIES | CASE WESTERN RESERVE UNIVERSITY (US) | 2000-07-11 | — | — | US | disclosed |
| EP-1009377-A1 | MEDICAL USES OF PYRUVATES | Case Western Reserve University (US) | 2000-06-21 | — | — | EP | disclosed |
| US-5968727-A | SOLUTION FOR LONG TERM PRESERVATION OF TRANSPLANTABLE ORGANS DEPRIVED OF OXYGEN | CASE WESTERN RESERVE UNIVERSITY (US) | 1999-10-19 | — | — | US | disclosed |
| US-5876916-A | ADMINISTRATION OF GLYCEROL-PYRUVATE OR HYDROXYACETONE PYRUVATE ESTER WITH BIOCOMPATIBLE CARRIER TO MAMMALS; AS HIGH CALORIE FOOD, ANTICHOLESTEROL AGENTS, ANTIISHEMIC AGENTS, ORGAN PRESERVATIVE, ANTIDIABETIC AGENTS | CASE WESTERN RESERVE UNIVERSITY (US) | 1999-03-02 | — | — | US | disclosed |
| EP-0888267-A1 | NOVEL PYRUVATE COMPOUNDS AND METHODS FOR USE THEREOF | CASE WESTERN RESERVE UNIVERSITY (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1998051277-A1 | MEDICAL USES OF PYRUVATES | CASE WESTERN RESERVE UNIVERSITY (US) | 1998-11-19 | — | — | WO | disclosed |
| WO-1997034856-A1 | NOVEL PYRUVATE COMPOUNDS AND METHODS FOR USE THEREOF | CASE WESTERN RESERVE UNIVERSITY (US) | 1997-09-25 | — | — | WO | disclosed |