⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11719762 | 0.94 | — | — | |
| SCHEMBL1500547 | 0.82 | DPP4 (0.33) | — | |
| SCHEMBL1500407 | 0.77 | DPP4 (0.36) | — | |
| SCHEMBL35136 | 0.75 | TSHR (0.41) | — | |
| Methane SCHEMBL9949224 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL4946734 | 0.72 | LMNA (0.41) | — | |
| SCHEMBL10898483 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL10597898 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL5968433 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL2702215 | 0.71 | TSHR (0.43) | — |
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-20050260405-A1 | Radiation-curable paint systems having a lower layer with low-temperature elasticity | BASF AKTIENGESELLSCHAFT (DE) | 2005-11-24 | — | — | US | disclosed |