⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5246380 | 0.84 | — | — | |
| SCHEMBL2524049 | 0.78 | — | — | |
| SCHEMBL9861249 | 0.76 | ACACB (0.30) | — | |
| SCHEMBL9641025 | 0.75 | — | — | |
| SCHEMBL9294507 | 0.70 | — | — | |
| SCHEMBL10786748 | 0.67 | ACACB (0.33) | — | |
| SCHEMBL6341659 | 0.67 | — | — | |
| SCHEMBL3817333 | 0.67 | LMNA (0.42) | — | |
| SCHEMBL8735841 | 0.66 | TRPV1 (0.40) | — | |
| SCHEMBL16428660 | 0.66 | TRPV1 (0.40) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8138299-B2 | Hardness below 80 Shore A; preferably transparent and plasticizer-free; Polyesterurethane made by reacting an isocyanate with two polyesterdiols, the first having 1,4-butanediol units and another C5+ diol, and the second having 1,4-butanediol units and a C2-3 diol such as ethylene glycol; nonshrinking | BASF AKTIENGESELLSCHAFT (DE) | 2012-03-20 | — | — | US | claimed |
| EP-1877460-B1 | THERMOPLASTIC POLYURETHANES | BASF SE (DE) | 2009-02-18 | — | — | EP | claimed |
| US-20080194789-A1 | Thermoplastic Polyurethanes | BASF AKTIENGESELLSCHAFT (DE) | 2008-08-14 | — | — | US | claimed |
| US-8138299-B2 | Hardness below 80 Shore A; preferably transparent and plasticizer-free; Polyesterurethane made by reacting an isocyanate with two polyesterdiols, the first having 1,4-butanediol units and another C5+ diol, and the second having 1,4-butanediol units and a C2-3 diol such as ethylene glycol; nonshrinking | BASF AKTIENGESELLSCHAFT (DE) | 2012-03-20 | — | — | US | disclosed |
| US-20080194789-A1 | Thermoplastic Polyurethanes | BASF AKTIENGESELLSCHAFT (DE) | 2008-08-14 | — | — | US | disclosed |