⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26506493 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL735647 | 0.72 | — | — | |
| SCHEMBL290855 | 0.72 | — | — | |
| SCHEMBL587725 | 0.72 | — | — | |
| SCHEMBL25294511 | 0.69 | — | — | |
| SCHEMBL11801600 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL11801594 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL21247736 | 0.69 | — | — | |
| SCHEMBL8916159 | 0.67 | — | — | |
| SCHEMBL193470 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105580185-A | Solid-state battery and method for manufacturing electrode active material | MITSUBISHI GAS CHEMICAL CO | 2016-05-11 | — | — | CN | disclosed |