⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2078386 | 0.80 | TSHR (0.51) | — | |
| SCHEMBL3173105 | 0.80 | TSHR (0.44) | — | |
| SCHEMBL10374184 | 0.77 | ADRA1D (0.39) | — | |
| SCHEMBL31319564 | 0.77 | KDM4E (0.36) | — | |
| SCHEMBL27472808 | 0.75 | TSHR (0.52) | — | |
| SCHEMBL1057330 | 0.72 | — | — | |
| SCHEMBL31319668 | 0.71 | MEN1 (0.38) | — | |
| SCHEMBL7811465 | 0.71 | MAPK14 (0.43) | — | |
| SCHEMBL9313074 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL27758481 | 0.70 | CNR2 (0.37) | — |
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-4589905-A | TERRESTRIAL AND AQUATIC APPLICATIONS | ELI LILLY AND COMPANY (US) | 1986-05-20 | — | — | US | disclosed |