⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14346417 | 0.83 | DNM1 (0.36) | — | |
| SCHEMBL430876 | 0.81 | TSHR (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL241739 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL267594 | 0.75 | PRKCA (0.34) | — | |
| SCHEMBL28011791 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL18599118 | 0.74 | — | — | |
| SCHEMBL19546012 | 0.73 | PRKCA (0.33) | — | |
| Methoxymethane SCHEMBL2475593 | 0.71 | PRKCA (0.32) | — | |
| SCHEMBL2541482 | 0.71 | DNM1 (0.39) | — | |
| Ethylene Glycol SCHEMBL22581580 | 0.71 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1682483-B1 | PROCESS FOR THE PREPARATION OF POLYMORPHS OF SERTRALINE HYDROCHLORIDE | CIPLA LTD (IN) | 2010-05-26 | — | — | EP | disclosed |