⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6214034 | 0.81 | — | — | |
| SCHEMBL5605800 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL5605797 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL19901536 | 0.78 | — | — | |
| SCHEMBL28282921 | 0.75 | — | — | |
| SCHEMBL5038224 | 0.74 | — | — | |
| SCHEMBL18394158 | 0.74 | — | — | |
| SCHEMBL5038226 | 0.74 | — | — | |
| SCHEMBL7593683 | 0.73 | TRPA1 (0.30) | — | |
| SCHEMBL1033615 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0809671-A1 | RIGID POLYURETHANE FOAMS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1997-12-03 | — | — | EP | disclosed |
| WO-1996025455-A1 | RIGID POLYURETHANE FOAMS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1996-08-22 | — | — | WO | disclosed |