⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL575509 | 0.80 | — | — | |
| SCHEMBL19857507 | 0.77 | CYP3A4 (0.39) | — | |
| SCHEMBL19857452 | 0.77 | CYP3A4 (0.39) | — | |
| SCHEMBL575802 | 0.76 | CYP3A4 (0.56) | — | |
| SCHEMBL15364043 | 0.75 | CYP3A4 (0.32) | — | |
| SCHEMBL8602572 | 0.75 | LMNA (0.42) | — | |
| SCHEMBL576372 | 0.74 | — | — | |
| SCHEMBL17722423 | 0.73 | — | — | |
| SCHEMBL30309871 | 0.73 | LPAR3 (0.55) | — | |
| SCHEMBL1276969 | 0.73 | — | — |
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-9620812-B2 | Lithium ion battery | NEC ENERGY DEVICES, LTD. (JP) | 2017-04-11 | — | — | US | disclosed |
| US-20130295465-A1 | LITHIUM ION BATTERY | NEC ENERGY DEVICES, LTD. (JP) | 2013-11-07 | — | — | US | disclosed |