⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL482823 | 0.77 | — | — | |
| SCHEMBL6725921 | 0.75 | CA1 (0.33) | — | |
| SCHEMBL2185909 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL6727643 | 0.71 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL6723718 | 0.70 | — | — | |
| SCHEMBL6727662 | 0.69 | CES2 (0.33) | — | |
| Tetrahydrothiophene SCHEMBL8629865 | 0.62 | ALDH1A1 (0.56) | — | |
| Acetic Acid SCHEMBL8037754 | 0.60 | FFAR3 (0.54) | — | |
| Tetrahydrothiophene SCHEMBL9620648 | 0.58 | — | — | |
| SCHEMBL8267015 | 0.57 | LMNA (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040224251-A1 | Positive resist composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-11-11 | — | — | US | disclosed |