⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4438736 | 0.82 | LMNA (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL10618980 | 0.79 | LMNA (0.36) | — | |
| SCHEMBL6663113 | 0.79 | LMNA (0.36) | — | |
| SCHEMBL3891291 | 0.78 | — | — | |
| SCHEMBL94307 | 0.73 | — | — | |
| SCHEMBL228466 | 0.73 | — | — | |
| SCHEMBL3359099 | 0.71 | ACHE (0.35) | — | |
| SCHEMBL28768793 | 0.71 | — | — | |
| SCHEMBL10425379 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL17223995 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040091982-A1 | Isocyanate free polyurethane production process via carbamate polyesterification | BAXENDEN CHEMICALS LIMITED (GB) | 2004-05-13 | — | — | US | disclosed |
| EP-1368409-A1 | ISOCYANATE FREE POLYURETHANE PRODUCTION PROCESS VIA CARBAMATE POLYESTERIFICATION | BAXENDEN CHEMICALS LIMITED (GB) | 2003-12-10 | — | — | EP | disclosed |
| WO-2002057338-A1 | ISOCYANATE FREE POLYURETHANE PRODUCTION PROCESS VIA CARBAMATE POLYESTERIFICATION | BAXENDEN CHEMICALS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |