⚠ 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL27866360 | 0.98 | — | — | |
| SCHEMBL27259201 | 0.91 | — | — | |
| SCHEMBL28246783 | 0.90 | — | — | |
| Water SCHEMBL28192066 | 0.90 | — | — | |
| Phosphine SCHEMBL27647373 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL28098204 | 0.88 | — | — | |
| Phosphine SCHEMBL27686828 | 0.88 | — | — | |
| SCHEMBL28319562 | 0.85 | — | — | |
| SCHEMBL27668234 | 0.82 | — | — | |
| Isopropyl Alcohol SCHEMBL27336639 | 0.82 | — | — |
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-105498825-A | Production increase method for aromatization of furan compound into aromatic hydrocarbon | CHINA PETROLEUM & CHEM CORP | 2016-04-20 | — | — | CN | disclosed |