⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25222674 | 0.91 | — | — | |
| SCHEMBL1008672 | 0.80 | — | — | |
| SCHEMBL1008805 | 0.80 | — | — | |
| SCHEMBL19348802 | 0.77 | — | — | |
| SCHEMBL1008649 | 0.76 | — | — | |
| SCHEMBL1011147 | 0.76 | — | — | |
| SCHEMBL1469048 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL1009514 | 0.73 | — | — | |
| SCHEMBL1470007 | 0.73 | CYP3A4 (0.38) | — | |
| SCHEMBL25401871 | 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-20110070504-A1 | SECONDARY BATTERY | NEC CORPORATION (JP) | 2011-03-24 | — | — | US | disclosed |