⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL120202 | 0.97 | — | — | |
| Water SCHEMBL34463673 | 0.94 | — | — | |
| SCHEMBL15525641 | 0.94 | — | — | |
| SCHEMBL28291473 | 0.94 | — | — | |
| SCHEMBL14664501 | 0.92 | — | — | |
| SCHEMBL16382614 | 0.92 | — | — | |
| SCHEMBL18472640 | 0.92 | — | — | |
| SCHEMBL15161716 | 0.92 | — | — | |
| SCHEMBL15161755 | 0.92 | — | — | |
| SCHEMBL8090002 | 0.92 | — | — |
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-108753479-A | A kind of direct fuel-injection engine gas handling system decarbonizer | 深圳市艾德化学品科技有限公司 | 2018-11-06 | — | — | CN | disclosed |