⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL726297 | 0.77 | — | — | |
| SCHEMBL11525715 | 0.76 | CYP2C9 (0.43) | — | |
| SCHEMBL24909713 | 0.75 | MEN1 (0.39) | — | |
| SCHEMBL17209858 | 0.74 | — | — | |
| SCHEMBL27310584 | 0.73 | — | — | |
| SCHEMBL366041 | 0.73 | — | — | |
| SCHEMBL11525696 | 0.72 | CYP2C9 (0.41) | — | |
| SCHEMBL24092249 | 0.72 | TSHR (0.48) | — | |
| SCHEMBL2338033 | 0.72 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL8399963 | 0.72 | — | — |
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-4143159-A | SKIN-CARE AGENTS CONTAINING HYDROXYALKYL CARBOXAMIDES AND PROCESS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1979-03-06 | — | — | US | claimed |