⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL976036 | 0.78 | CHRM2 (0.32) | — | |
| SCHEMBL20192435 | 0.68 | — | — | |
| Water SCHEMBL28480192 | 0.63 | — | — | |
| SCHEMBL1721861 | 0.61 | — | — | |
| SCHEMBL12188670 | 0.61 | KMT2A (0.32) | — | |
| SCHEMBL17621233 | 0.61 | — | — | |
| SCHEMBL15937087 | 0.60 | — | — | |
| SCHEMBL21130841 | 0.60 | KMT2A (0.33) | — | |
| Bromide SCHEMBL28587721 | 0.60 | — | — | |
| Iodide SCHEMBL28164750 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101500707-B | Production of light olefins | EXXON MOBIL CHEM PATENTS INC | 2014-03-12 | — | — | CN | disclosed |
| CN-101500707-A | Production of light olefins | EXXONMOBIL CHEM PATENTS INC (US) | 2009-08-05 | — | — | CN | disclosed |