⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1305268 | 1.00 | — | — | |
| SCHEMBL1305270 | 1.00 | — | — | |
| SCHEMBL24135950 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL4321897 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL1305490 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL4321903 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL1305493 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL1304714 | 0.69 | — | — | |
| SCHEMBL21666681 | 0.69 | — | — | |
| SCHEMBL1304713 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3880775-A1 | ALKYLBENZENE SULFONATE DETERGENTS | The Lubrizol Corporation (US) | 2021-09-22 | — | — | EP | disclosed |
| WO-2020102672-A1 | ALKYLBENZENE SULFONATE DETERGENTS | THE LUBRIZOL CORPORATION (US) | 2020-05-22 | — | — | WO | disclosed |