⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1849 | 0.81 | — | — | |
| SCHEMBL10636466 | 0.81 | — | — | |
| SCHEMBL4390490 | 0.81 | ALDH1A1 (1.00) | — | |
| 1,1-Dichloroethene SCHEMBL2295845 | 0.80 | ALDH1A1 (0.83) | — | |
| SCHEMBL8627821 | 0.79 | — | — | |
| SCHEMBL5708629 | 0.79 | — | — | |
| SCHEMBL21340366 | 0.79 | — | — | |
| SCHEMBL20681605 | 0.79 | — | — | |
| SCHEMBL2168919 | 0.79 | — | — | |
| Hydrogen Peroxide SCHEMBL9143793 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004020414-A1 | OXYTOCIN INHIBITORS | PFIZER LIMITED (GB) | 2004-03-11 | — | — | WO | disclosed |
| US-6348617-B1 | REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-02-19 | — | — | US | disclosed |
| EP-0937703-A1 | METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1999-08-25 | — | — | EP | disclosed |