⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15554421 | 0.78 | — | — | |
| SCHEMBL8169313 | 0.75 | TSHR (0.45) | — | |
| SCHEMBL780549 | 0.75 | — | — | |
| SCHEMBL8165576 | 0.73 | THRB (0.55) | — | |
| Sulfurous Acid SCHEMBL8976127 | 0.73 | THRB (0.55) | — | |
| SCHEMBL8975562 | 0.72 | THRB (0.53) | — | |
| SCHEMBL4003140 | 0.71 | — | — | |
| SCHEMBL3449037 | 0.69 | ALDH1A1 (0.55) | — | |
| SCHEMBL4198420 | 0.69 | ALDH1A1 (0.55) | — | |
| SCHEMBL3375176 | 0.69 | — | — |
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-5523367-A | DISPOSABLE PRODUCTS | PHILLIPS PETROLEUM COMPANY (US) | 1996-06-04 | — | — | US | disclosed |