⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4725494 | 0.96 | — | — | |
| SCHEMBL1059659 | 0.69 | — | — | |
| Formaldehyde SCHEMBL8899421 | 0.61 | TRPA1 (0.31) | — | |
| SCHEMBL10949378 | 0.59 | — | — | |
| SCHEMBL983496 | 0.58 | — | — | |
| SCHEMBL169861 | 0.58 | — | — | |
| Acrolein SCHEMBL28201003 | 0.58 | — | — | |
| SCHEMBL2774259 | 0.56 | — | — | |
| SCHEMBL6573284 | 0.56 | — | — | |
| SCHEMBL11769337 | 0.56 | — | — |
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-105647468-A | Wave-absorbing material based on grapheme and preparation method thereof | 兰州天烁新能源有限公司 | 2016-06-08 | — | — | CN | disclosed |