⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL679568 | 0.94 | — | — | |
| SCHEMBL19571064 | 0.94 | — | — | |
| SCHEMBL14490648 | 0.94 | — | — | |
| SCHEMBL12319413 | 0.94 | — | — | |
| SCHEMBL14538935 | 0.94 | — | — | |
| SCHEMBL25085341 | 0.94 | — | — | |
| SCHEMBL17920191 | 0.94 | — | — | |
| SCHEMBL11996358 | 0.94 | — | — | |
| SCHEMBL13767335 | 0.94 | — | — | |
| Water SCHEMBL28198998 | 0.91 | — | — |
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-107721788-A | The method that aromatisation produces aromatic hydrocarbon | 中国石油化工股份有限公司 | 2018-02-23 | — | — | CN | disclosed |