⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9750707 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL11410973 | 0.76 | MMP8 (0.31) | — | |
| SCHEMBL8289823 | 0.74 | — | — | |
| SCHEMBL23883550 | 0.72 | — | — | |
| SCHEMBL21847373 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL11413762 | 0.71 | — | — | |
| SCHEMBL11422152 | 0.69 | — | — | |
| SCHEMBL14990863 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL5013725 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL21847337 | 0.67 | GAA (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-4183907-A | FROM CALCIUM HYDROXIDE AND AN ORGANIC HYPOCHLORITE | OLIN CORPORATION (US) | 1980-01-15 | — | — | US | disclosed |