⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7947914 | 0.85 | — | — | |
| SCHEMBL336402 | 0.82 | — | — | |
| SCHEMBL199875 | 0.82 | — | — | |
| SCHEMBL29249282 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL4941502 | 0.81 | — | — | |
| SCHEMBL28109491 | 0.79 | — | — | |
| SCHEMBL18241827 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL28105811 | 0.78 | — | — | |
| SCHEMBL9861855 | 0.77 | — | — | |
| SCHEMBL5701070 | 0.76 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0084364-B1 | POLYURETHANE ADHESIVE COMPOSITIONS | Takeda Chemical Industries, Ltd. (JP) | 1985-05-15 | — | — | EP | claimed |
| US-4507447-A | Polyurethane adhesive compositions containing oxyacid of phosphorus and silane coupling agent | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-03-26 | — | — | US | claimed |
| EP-0084364-A1 | Polyurethane adhesive compositions | Takeda Chemical Industries, Ltd. (JP) | 1983-07-27 | — | — | EP | claimed |
| US-9333484-B2 | Reversible CO2 fixation via self-assembled siloxanes | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2016-05-10 | — | — | US | disclosed |
| WO-2014105321-A1 | REVERSIBLE CO2 FIXATION VIA SELF-ASSEMBLED SILOXANES | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2014-07-03 | — | — | WO | disclosed |
| US-20140186246-A1 | REVERSIBLE CO2 FIXATION VIA SELF-ASSEMBLED SILOXANES | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2014-07-03 | — | — | US | disclosed |
| CN-101165134-A | Sealing agent, adhesive | KANEGAFUCHI CHEMICAL IND (JP) | 2008-04-23 | — | — | CN | disclosed |
| CN-100355807-C | Organic polymer containing reactive silicon group | KANEGAFUCHI CHEMICAL IND (JP) | 2007-12-19 | — | — | CN | disclosed |
| CN-1780871-A | Organic polymer containing reactive silicon group | KANEGAFUCHI CHEMICAL IND (JP) | 2006-05-31 | — | — | CN | disclosed |
| US-4507447-A | Polyurethane adhesive compositions containing oxyacid of phosphorus and silane coupling agent | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-03-26 | — | — | US | disclosed |
| EP-0084364-A1 | Polyurethane adhesive compositions | Takeda Chemical Industries, Ltd. (JP) | 1983-07-27 | — | — | EP | disclosed |