⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8679019 | 0.81 | — | — | |
| SCHEMBL4729844 | 0.73 | — | — | |
| SCHEMBL2786652 | 0.73 | — | — | |
| SCHEMBL347172 | 0.71 | — | — | |
| SCHEMBL25775996 | 0.71 | — | — | |
| Bicarbonate SCHEMBL6448893 | 0.71 | — | — | |
| SCHEMBL6899218 | 0.69 | — | — | |
| SCHEMBL19287773 | 0.69 | — | — | |
| SCHEMBL472061 | 0.68 | — | — | |
| SCHEMBL1992663 | 0.68 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4925881-A | TRIMERIZABLE POLYISOCYANATE, EPOXY RESINS, THERMAL INSULATION | SHELL OIL COMPANY (US) | 1990-05-15 | — | — | US | claimed |
| EP-2651997-B1 | FOAMS OF HIGH THERMAL STABILITY | BAYER IP GMBH (DE) | 2015-08-12 | — | — | EP | disclosed |
| EP-2705076-A2 | HIGH-TEMPERATURE-RESISTANT FOAMS HAVING LOW THERMAL CONDUCTIVITY | Bayer Intellectual Property GmbH (DE) | 2014-03-12 | — | — | EP | disclosed |
| EP-2651997-A1 | FOAMS OF HIGH THERMAL STABILITY | Bayer Intellectual Property GmbH (DE) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012150201-A2 | HIGH-TEMPERATURE-RESISTANT FOAMS HAVING LOW THERMAL CONDUCTIVITY | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-11-08 | — | — | WO | disclosed |
| WO-2012080185-A1 | FOAMS OF HIGH THERMAL STABILITY | BAYER MATERIALSCIENCE AG (DE) | 2012-06-21 | — | — | WO | disclosed |
| US-4925881-A | TRIMERIZABLE POLYISOCYANATE, EPOXY RESINS, THERMAL INSULATION | SHELL OIL COMPANY (US) | 1990-05-15 | — | — | US | disclosed |
| US-4766158-A | CATALYTIC REACTION OF POLYISOCYANATES AND POLYEPOXIDE | OLIN CORPORATION (US) | 1988-08-23 | — | — | US | disclosed |
| US-4699931-A | REACTING POLYISOCYANATE WITH POLYEPOXIDE-THERMAL STABILITY | OLIN CORPORATION (US) | 1987-10-13 | — | — | US | disclosed |
| US-4299924-A | IMPROVED RIGIDITY, HEAT RESISTANCE, AND IMPACT RESISTANCE | TOYOTA JIDOSHA KOGYO KABUSHIKI KAISHA (JP) | 1981-11-10 | — | — | US | disclosed |