⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL1502801 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1502888 | 0.97 | — | — | |
| Water SCHEMBL2149859 | 0.97 | — | — | |
| Fluoride SCHEMBL1502901 | 0.97 | — | — | |
| Iodide SCHEMBL1502863 | 0.97 | — | — | |
| SCHEMBL2150139 | 0.91 | — | — | |
| Perchlorate SCHEMBL2150556 | 0.89 | — | — | |
| Phosphoric Acid SCHEMBL2150612 | 0.89 | FDPS (0.37) | — | |
| SCHEMBL232566 | 0.78 | — | — | |
| SCHEMBL21468437 | 0.77 | — | — |
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-113015757-B | Foamable composition for nonflammable polyurethane foam | 旭有机材株式会社 | 2023-07-18 | — | — | CN | disclosed |
| WO-2021255958-A1 | FOAM COMPOSITION FOR FLAME-RETARDANT POLYISOCYANURATE FOAM AND METHOD FOR PRODUCING FLAME-RETARDANT POLYISOCYANURATE FOAM USING SAID FOAM | 旭有機材株式会社 | 2021-12-23 | — | — | WO | disclosed |
| CN-113015757-A | Foaming composition for non-combustible polyurethane foam | 旭有机材株式会社 | 2021-06-22 | — | — | CN | disclosed |
| EP-1460094-B1 | Catalyst composition for production of a polyurethane resin, and method for producing a polyurethane resin | TOSOH CORP (JP) | 2007-01-31 | — | — | EP | disclosed |
| US-7001864-B2 | Catalyst composition for production of a polyurethane resin, and method for producing a polyurethane resin | TOSOH CORPORATION (JP) | 2006-02-21 | — | — | US | disclosed |
| US-20040192875-A1 | Catalyst composition for production of a polyurethane resin, and method for producing a polyurethane resin | TOSOH CORPORATION (JP) | 2004-09-30 | — | — | US | disclosed |
| EP-1460094-A1 | Catalyst composition for production of a polyurethane resin, and method for producing a polyurethane resin | Tosoh Corporation (JP) | 2004-09-22 | — | — | EP | disclosed |