⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2251744 | 0.83 | HCAR2 (0.38) | — | |
| SCHEMBL12395216 | 0.81 | CYP4F2 (0.36) | — | |
| SCHEMBL14931670 | 0.81 | TSHR (0.40) | — | |
| SCHEMBL9312845 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL7653360 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL9469429 | 0.78 | CYP4F2 (0.41) | — | |
| SCHEMBL12386545 | 0.78 | CYP4F2 (0.44) | — | |
| SCHEMBL2242736 | 0.78 | CYP4F2 (0.44) | — | |
| SCHEMBL3910492 | 0.78 | POLB (0.43) | — | |
| SCHEMBL2251073 | 0.78 | NAAA (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5371001-A | Transesterification in the presence of carboxy-esterases or carboxyamidases | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-12-06 | — | — | US | disclosed |
| US-5254718-A | Using enzyme catalyst; simplified separation, purification | E. I. DU PONT DE NEMOURS & COMPANY (US) | 1993-10-19 | — | — | US | disclosed |
| WO-1992015547-A1 | ESTERS OF UNSYMMETRICALLY 2-SUBSTITUTED GLYCOLIC ACID DIMERS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-09-17 | — | — | WO | disclosed |