⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL336403 | 0.83 | — | — | |
| SCHEMBL554262 | 0.76 | THRB (0.33) | — | |
| SCHEMBL28722186 | 0.74 | THRB (0.32) | — | |
| SCHEMBL1584768 | 0.74 | CA12 (0.37) | — | |
| SCHEMBL28049680 | 0.72 | LMNA (0.31) | — | |
| SCHEMBL2931933 | 0.67 | THRB (0.47) | — | |
| SCHEMBL3296070 | 0.65 | CA12 (0.35) | — | |
| SCHEMBL2820291 | 0.65 | THRB (0.35) | — | |
| SCHEMBL6142911 | 0.64 | THRB (0.38) | — | |
| SCHEMBL11234244 | 0.63 | LMNA (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0084364-B1 | POLYURETHANE ADHESIVE COMPOSITIONS | Takeda Chemical Industries, Ltd. (JP) | 1985-05-15 | — | — | EP | claimed |
| US-4507447-A | Polyurethane adhesive compositions containing oxyacid of phosphorus and silane coupling agent | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-03-26 | — | — | US | claimed |
| EP-0084364-A1 | Polyurethane adhesive compositions | Takeda Chemical Industries, Ltd. (JP) | 1983-07-27 | — | — | EP | claimed |
| US-4507447-A | Polyurethane adhesive compositions containing oxyacid of phosphorus and silane coupling agent | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-03-26 | — | — | US | disclosed |
| EP-0084364-A1 | Polyurethane adhesive compositions | Takeda Chemical Industries, Ltd. (JP) | 1983-07-27 | — | — | EP | disclosed |