⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1275422 | 0.91 | LMNA (0.35) | — | |
| SCHEMBL17581543 | 0.91 | — | — | |
| SCHEMBL134615 | 0.89 | TSHR (0.36) | — | |
| SCHEMBL8680521 | 0.87 | LMNA (0.43) | — | |
| SCHEMBL9016288 | 0.86 | — | — | |
| SCHEMBL14646788 | 0.86 | MAPK1 (0.33) | — | |
| SCHEMBL3243990 | 0.86 | — | — | |
| SCHEMBL1516581 | 0.86 | TSHR (0.48) | — | |
| SCHEMBL14612210 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL18745656 | 0.86 | — | — |
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-5284985-A | Process for the selective hydrocracking of distillates to produce naphta range high octane isoparaffins | MOBIL OIL CORP. (US) | 1994-02-08 | — | — | US | disclosed |