⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7990983 | 0.79 | TSHR (0.43) | — | |
| SCHEMBL17027537 | 0.79 | TSHR (0.43) | — | |
| SCHEMBL9356861 | 0.79 | TSHR (0.43) | — | |
| SCHEMBL7987243 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL3448596 | 0.74 | — | — | |
| SCHEMBL8625045 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL14686468 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL14686428 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL14686553 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL14686448 | 0.71 | TSHR (0.30) | — |
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-1406938-A1 | POLYCONDENSABLE COMPOSITION COMPRISING AN OXYGEN HETEROCYCLE AND AN ISOCYANATE, AND POLYCONDENSATION ASSOCIATED THEREWITH | RHODIA CHIMIE (FR) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003004544-A1 | POLYCONDENSABLE COMPOSITION COMPRISING AN OXYGEN HETEROCYCLE AND AN ISOCYANATE, AND POLYCONDENSATION ASSOCIATED THEREWITH | RHODIA CHIMIE (FR) | 2003-01-16 | — | — | WO | disclosed |