⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9719742 | 0.82 | — | — | |
| SCHEMBL751238 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL790249 | 0.76 | CES1 (0.45) | — | |
| SCHEMBL7651329 | 0.76 | CES1 (0.45) | — | |
| SCHEMBL9840900 | 0.74 | TSHR (0.52) | — | |
| SCHEMBL9719757 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL10596203 | 0.73 | CES1 (0.45) | — | |
| SCHEMBL30238535 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL30610384 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL11799370 | 0.72 | CES1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5106892-A | Containing synergistic mixture of organic phosphites | AUSIMONT S.P.A. (IT) | 1992-04-21 | — | — | US | disclosed |