⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8909627 | 0.73 | — | — | |
| SCHEMBL5679003 | 0.62 | — | — | |
| SCHEMBL23733955 | 0.53 | TSHR (0.33) | — | |
| SCHEMBL7180007 | 0.49 | — | — | |
| Iodide SCHEMBL9767750 | 0.46 | — | — | |
| SCHEMBL489696 | 0.46 | ALDH1A1 (0.33) | — | |
| Benzene SCHEMBL8111616 | 0.46 | TSHR (0.43) | — | |
| Isobutane SCHEMBL7754023 | 0.45 | TSHR (0.50) | — | |
| Isobutane SCHEMBL20490082 | 0.45 | TSHR (0.50) | — | |
| Isobutane SCHEMBL30536981 | 0.45 | — | — |
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-4517379-A | ARTIFICIAL SWEETENER | PFIZER INC. (US) | 1985-05-14 | — | — | US | disclosed |
| US-4454328-A | SWEETENERS | PFIZER INC. (US) | 1984-06-12 | — | — | US | disclosed |
| US-4399163-A | ARTIFICIAL SWEETENERS | PFIZER INC. (US) | 1983-08-16 | — | — | US | disclosed |