⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL611756 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL3792201 | 0.73 | TDP1 (0.39) | — | |
| SCHEMBL1473425 | 0.71 | — | — | |
| SCHEMBL2544000 | 0.69 | — | — | |
| SCHEMBL28034222 | 0.69 | — | — | |
| SCHEMBL23298138 | 0.67 | — | — | |
| SCHEMBL10605531 | 0.67 | — | — | |
| SCHEMBL21929526 | 0.67 | — | — | |
| SCHEMBL25830804 | 0.65 | — | — | |
| SCHEMBL10764688 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0006736-B1 | STABILIZED FLAME RETARDANT PREMIX FOR POLYURETHANE FOAMS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1982-12-15 | — | — | EP | claimed |
| EP-0006736-B1 | STABILIZED FLAME RETARDANT PREMIX FOR POLYURETHANE FOAMS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1982-12-15 | — | — | EP | disclosed |
| US-4225453-A | CHLORINATED POLYETHER, TERTIARY AMINE CATALYST, THIOUREA OR THIOCARBAMATE, UNSATURATED COMPOUND AND AN ISOCYANATE; STORAGE STABILITY | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1980-09-30 | — | — | US | disclosed |
| EP-0006736-A1 | Stabilized flame retardant premix for polyurethane foams | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1980-01-09 | — | — | EP | disclosed |