⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28067036 | 0.85 | MEN1 (0.52) | — | |
| SCHEMBL11206446 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL6141897 | 0.82 | — | — | |
| SCHEMBL28045192 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL870738 | 0.76 | — | — | |
| SCHEMBL6428112 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL8465970 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL13993101 | 0.75 | — | — | |
| SCHEMBL10987435 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL12547206 | 0.75 | TSHR (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030138621-A1 | COMPOSITE ELEMENTS COMPRISING (I) THERMOPLASTIC POLYURETHANES AND (II) MICROCELLULAR POLYURETHANE ELASTOMERS | BASF AKTIENGESELLSCHAFT (DE) | 2003-07-24 | — | — | US | disclosed |