⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4558350 | 0.79 | — | — | |
| SCHEMBL9876541 | 0.67 | — | — | |
| Diethanolamine SCHEMBL28790809 | 0.64 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL16041149 | 0.64 | SMN1; SMN2 (0.39) | — | |
| Diethanolamine SCHEMBL1584965 | 0.64 | — | — | |
| SCHEMBL2748224 | 0.64 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL64351 | 0.64 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL10892467 | 0.64 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL4534601 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL6429828 | 0.62 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2009092979-A | RESIST REMOVAL COMPOSITION AND METHOD FOR REMOVING RESIST USING SAME | TOSOH CORP | 2009-04-30 | — | — | JP | disclosed |