⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10967190 | 0.89 | TSHR (0.42) | — | |
| SCHEMBL7071809 | 0.81 | — | — | |
| SCHEMBL11418684 | 0.81 | TSHR (0.43) | — | |
| SCHEMBL6264425 | 0.77 | — | — | |
| SCHEMBL27923946 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL11431867 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL1104735 | 0.75 | — | — | |
| SCHEMBL27093902 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL2791955 | 0.71 | TSHR (0.47) | — | |
| SCHEMBL2804545 | 0.71 | — | — |
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-4434161-A | ANTICHOLESTEROL | SANDOZ, INC. (US) | 1984-02-28 | — | — | US | disclosed |