⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2741276 | 0.89 | CYP1A2 (0.32) | — | |
| SCHEMBL9912694 | 0.89 | HSPA5 (0.36) | — | |
| SCHEMBL2812384 | 0.89 | CYP1A2 (0.32) | — | |
| SCHEMBL12875832 | 0.89 | CYP1A2 (0.32) | — | |
| SCHEMBL2741272 | 0.88 | ALDH1A1 (0.36) | — | |
| SCHEMBL2785231 | 0.88 | ALDH1A1 (0.36) | — | |
| SCHEMBL2788691 | 0.88 | ALDH1A1 (0.36) | — | |
| SCHEMBL14963226 | 0.87 | CYP1A2 (0.30) | — | |
| SCHEMBL14468734 | 0.86 | CYP1A2 (0.30) | — | |
| SCHEMBL12890011 | 0.86 | ALDH1A1 (0.36) | — |
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-20110040125-A1 | NITROGEN AND HINDERED PHENOL CONTAINING DUAL FUNCTIONAL MACROMOLECULAR ANTIOXIDANTS: SYNTHESIS, PERFORMANCES AND APPLICATIONS | POLNOX CORPORATION (US) | 2011-02-17 | — | — | US | disclosed |