⚠ 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 | |
|---|---|---|---|---|
| Vinyl Chloride SCHEMBL27875537 | 0.84 | — | — | |
| Vinyl Chloride SCHEMBL11235124 | 0.78 | — | — | |
| Vinyl Chloride SCHEMBL11090485 | 0.78 | — | — | |
| Vinyl Chloride SCHEMBL2463034 | 0.78 | — | — | |
| Vinyl Chloride SCHEMBL15057 | 0.78 | — | — | |
| Vinyl Chloride SCHEMBL1695300 | 0.78 | — | — | |
| Vinyl Chloride SCHEMBL27579191 | 0.78 | ALDH1A1 (0.38) | — | |
| Trimethylammonium SCHEMBL28164036 | 0.76 | — | — | |
| Vinyl Chloride SCHEMBL11648718 | 0.74 | — | — | |
| SCHEMBL8673238 | 0.74 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101381373-A | Trimethyl tin coordination compound, preparation method thereof and use | UNIV LIAOCHENG (CN) | 2009-03-11 | — | — | CN | claimed |
| CN-102272128-A | Modulators of atp-binding cassette transporters | — | 2011-12-07 | — | — | CN | disclosed |
| CN-101381373-B | Trimethyl tin coordination compound, preparation method thereof and use | UNIV LIAOCHENG | 2011-07-06 | — | — | CN | disclosed |
| CN-101381373-A | Trimethyl tin coordination compound, preparation method thereof and use | UNIV LIAOCHENG (CN) | 2009-03-11 | — | — | CN | disclosed |
| US-20070108057-A1 | Enzyme immobilization for electroosmotic flow | NATIONAL SCIENCE FOUNDATION | 2007-05-17 | — | — | US | disclosed |
| US-7172682-B2 | Enzyme immobilization for electroosmotic flow | RENSSELAER POLYTECHNIC INSTITUTE (US) | 2007-02-06 | — | — | US | disclosed |
| US-20070000781-A1 | ENZYME IMMOBILIZATION FOR ELECTROOSMOTIC FLOW | RENSSELAER POLYTECHNIC INSTITUTE (US) | 2007-01-04 | — | — | US | disclosed |