⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11084315 | 0.96 | ABCC4 (0.31) | — | |
| SCHEMBL1614689 | 0.83 | CYP2D6 (0.33) | — | |
| SCHEMBL28432420 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL207971 | 0.79 | FFAR4 (0.35) | — | |
| SCHEMBL15387457 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL23148516 | 0.77 | L3MBTL1 (0.34) | — | |
| SCHEMBL454638 | 0.76 | — | — | |
| SCHEMBL9738855 | 0.76 | TSHR (0.45) | — | |
| SCHEMBL11251028 | 0.76 | — | — | |
| SCHEMBL997178 | 0.75 | GAA (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4426471-A | TETRAALKYLPIPERIDINES | CIBA-GEIGY CORPORATION (US) | 1984-01-17 | — | — | US | disclosed |
| EP-0055216-A1 | Process for curing stove enamels | CIBA-GEIGY AG (CH) | 1982-06-30 | — | — | EP | disclosed |