⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4468701 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL2767797 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL27489642 | 0.73 | HTR1D (0.35) | — | |
| SCHEMBL9485874 | 0.69 | GHSR (0.35) | — | |
| SCHEMBL5110676 | 0.68 | HPGD (0.39) | — | |
| SCHEMBL860875 | 0.68 | GHSR (0.40) | — | |
| SCHEMBL5957942 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL8536110 | 0.67 | CYP2D6 (0.36) | — | |
| SCHEMBL4589689 | 0.67 | CYP2D6 (0.54) | — | |
| SCHEMBL1775664 | 0.67 | GHSR (0.42) | — |
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-20040209939-A1 | Pyrrole derivatives | SUMITOMO PHARMACEUTICALS CO., LTD. | 2004-10-21 | — | — | US | disclosed |