⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL114377 | 0.83 | — | — | |
| SCHEMBL2361896 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL27840158 | 0.80 | — | — | |
| SCHEMBL29261095 | 0.78 | MEN1 (0.46) | — | |
| Butadiene SCHEMBL7754390 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL8361353 | 0.77 | TSHR (0.38) | — | |
| Alcohol SCHEMBL28198579 | 0.75 | — | — | |
| Ethylene Glycol SCHEMBL1357784 | 0.73 | TSHR (0.33) | — | |
| Acrylic Acid SCHEMBL27465856 | 0.73 | LMNA (0.46) | — | |
| Acrylic Acid Ethyl Ester SCHEMBL10467352 | 0.72 | TSHR (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1723224-A4 | SOLVENT COMPOSITIONS FOR REMOVING PETROLEUM RESIDUE FROM A SUBSTRATE AND METHODS OF USE THEREOF | TROXLER ELECTRONICS LAB INC (US) | 2008-02-27 | — | — | EP | disclosed |
| EP-1723224-A2 | SOLVENT COMPOSITIONS FOR REMOVING PETROLEUM RESIDUE FROM A SUBSTRATE AND METHODS OF USE THEREOF | Troxler Electronics Laboratories, Inc. (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005091771-A2 | SOLVENT COMPOSITIONS FOR REMOVING PETROLEUM RESIDUE FROM A SUBSTRATE AND METHODS OF USE THEREOF | TROXLER ELECTRONICS LABORATORIES, INC. (US) | 2005-10-06 | — | — | WO | disclosed |