⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4269326 | 0.78 | — | — | |
| SCHEMBL7191915 | 0.77 | — | — | |
| SCHEMBL688687 | 0.76 | — | — | |
| SCHEMBL4269736 | 0.76 | — | — | |
| SCHEMBL6287310 | 0.75 | HTR2C (0.31) | — | |
| SCHEMBL1681584 | 0.73 | — | — | |
| SCHEMBL16393621 | 0.72 | — | — | |
| SCHEMBL21403457 | 0.72 | — | — | |
| SCHEMBL2519661 | 0.72 | CYP11B1 (0.30) | — | |
| SCHEMBL2525028 | 0.72 | — | — |
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-5817590-A | METALLOCENE, IONIZING IONIC COMPOUND, ORGANOALUMINUM COMPOUND, LEWIS BASE | TOSOH CORPORATION (JP) | 1998-10-06 | — | — | US | disclosed |