⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL8723689 | 0.96 | CA1 (0.40) | — | |
| SCHEMBL15068452 | 0.92 | CA1 (0.46) | — | |
| SCHEMBL15584 | 0.92 | — | — | |
| SCHEMBL9358622 | 0.88 | — | — | |
| SCHEMBL14995323 | 0.88 | — | — | |
| SCHEMBL6537240 | 0.88 | — | — | |
| SCHEMBL324713 | 0.88 | — | — | |
| SCHEMBL6531312 | 0.88 | — | — | |
| Strontium SCHEMBL10626900 | 0.88 | — | — | |
| SCHEMBL3265050 | 0.88 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8225755-A | — | — | None | — | — | JP | disclosed |
| JP-57179255-A | — | — | None | — | — | JP | disclosed |
| CN-103260726-B | Carbon oxide capture | ARKEMA FRANCE (FR) | 2015-10-21 | — | — | CN | disclosed |
| JP-H08225755-A | RESIN COMPOSITION FOR CAN OUTER SURFACE-FINISHING VARNISH | TOYOBO CO LTD | 1996-09-03 | — | — | JP | disclosed |
| JP-S57179255-A | PAINT COMPOSITION FOR COATING STEEL PLATE | TOYOBO CO LTD | 1982-11-04 | — | — | JP | disclosed |