⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL6939429 | 1.00 | ALDH1A1 (0.33) | — | |
| SCHEMBL2903 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL8863640 | 0.83 | — | — | |
| Fluoride SCHEMBL9710995 | 0.82 | TSHR (0.33) | — | |
| Fluoride SCHEMBL9711000 | 0.82 | — | — | |
| Propane SCHEMBL787112 | 0.73 | TSHR (0.38) | — | |
| Propane SCHEMBL28758767 | 0.73 | — | — | |
| Propane SCHEMBL7708559 | 0.73 | — | — | |
| Propane SCHEMBL28670151 | 0.73 | — | — | |
| Propane SCHEMBL787113 | 0.73 | TSHR (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1286714-A1 | IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC IMAGING | Amersham Health AS (NO) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001091840-A1 | IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC IMAGING | AMERSHAM HEALTH AS (NO) | 2001-12-06 | — | — | WO | disclosed |