⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16031874 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL16031872 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL23754437 | 0.74 | PPARG (0.36) | — | |
| SCHEMBL23754436 | 0.74 | PPARG (0.36) | — | |
| SCHEMBL347376 | 0.71 | — | — | |
| SCHEMBL347377 | 0.71 | — | — | |
| SCHEMBL22334427 | 0.70 | — | — | |
| SCHEMBL22883444 | 0.70 | — | — | |
| SCHEMBL2012190 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL2012192 | 0.70 | TSHR (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021127183-A1 | POLYMERIC SURFACTANT COMPOUND | THE LUBRIZOL CORPORATION (US) | 2021-06-24 | — | — | WO | claimed |
| WO-2021127183-A1 | POLYMERIC SURFACTANT COMPOUND | THE LUBRIZOL CORPORATION (US) | 2021-06-24 | — | — | WO | disclosed |
| EP-3720935-A1 | ALKYLPHENOL DETERGENTS | The Lubrizol Corporation (US) | 2020-10-14 | — | — | EP | disclosed |
| WO-2019112720-A1 | ALKYLPHENOL DETERGENTS | THE LUBRIZOL CORPORATION (US) | 2019-06-13 | — | — | WO | disclosed |