⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12212164 | 0.70 | — | — | |
| SCHEMBL4421530 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL9400716 | 0.67 | — | — | |
| Hydrogen Sulfide SCHEMBL11212372 | 0.67 | — | — | |
| SCHEMBL5697118 | 0.65 | — | — | |
| SCHEMBL17669760 | 0.59 | — | — | |
| SCHEMBL367419 | 0.59 | — | — | |
| SCHEMBL7648923 | 0.58 | — | — | |
| SCHEMBL23518 | 0.56 | — | — | |
| SCHEMBL2283731 | 0.56 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109422859-B | Ortho-methanolate and ethanolamine carbonate alkaline blowing agents and use for producing polyurethane solar foam materials | 补天新材料技术有限公司 | 2021-01-22 | — | — | CN | claimed |
| CN-109422909-B | Ortho-and carbonate-alkanolamine-based blowing agents and use for producing polyurethane spray foam materials | 补天新材料技术有限公司 | 2021-04-09 | — | — | CN | disclosed |
| CN-109422915-B | Blowing agent comprising orthomethanolate and ethanolamine salts and use for polyurethane slabstock foam materials | 补天新材料技术有限公司 | 2021-02-09 | — | — | CN | disclosed |
| CN-109422859-B | Ortho-methanolate and ethanolamine carbonate alkaline blowing agents and use for producing polyurethane solar foam materials | 补天新材料技术有限公司 | 2021-01-22 | — | — | CN | disclosed |