⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9686570 | 1.00 | — | — | |
| SCHEMBL2760845 | 0.83 | — | — | |
| SCHEMBL3777063 | 0.83 | — | — | |
| SCHEMBL3778781 | 0.83 | — | — | |
| SCHEMBL9686583 | 0.83 | TRPA1 (0.35) | — | |
| SCHEMBL2567111 | 0.83 | — | — | |
| SCHEMBL3777062 | 0.83 | — | — | |
| SCHEMBL3780469 | 0.83 | — | — | |
| SCHEMBL9687670 | 0.83 | TRPA1 (0.35) | — | |
| SCHEMBL2761447 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5107021-A | Betaines, surface-active agents | SOCIETE ATOCHEM (FR) | 1992-04-21 | — | — | US | disclosed |
| US-5026910-A | Used as surface-active agents | SOCIETE ATOCHEM (FR) | 1991-06-25 | — | — | US | disclosed |