⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10099734 | 0.79 | HSP90AA1 (0.31) | — | |
| SCHEMBL1994837 | 0.68 | CYP19A1 (0.32) | — | |
| SCHEMBL11039302 | 0.68 | CYP19A1 (0.32) | — | |
| SCHEMBL10099738 | 0.67 | — | — | |
| SCHEMBL16405067 | 0.67 | — | — | |
| SCHEMBL12359650 | 0.65 | — | — | |
| SCHEMBL2254556 | 0.65 | — | — | |
| SCHEMBL2254553 | 0.65 | — | — | |
| SCHEMBL11257689 | 0.64 | LMNA (0.40) | — | |
| SCHEMBL9426547 | 0.63 | — | — |
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-5187285-A | Producing bis(alicyclic) thioethers | ETHYL CORPORATION (US) | 1993-02-16 | — | — | US | claimed |