⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4952411 | 0.92 | — | — | |
| SCHEMBL4954642 | 0.85 | MEN1 (0.39) | — | |
| SCHEMBL4956104 | 0.85 | NUDT1 (0.33) | — | |
| SCHEMBL4950312 | 0.85 | POLB (0.32) | — | |
| SCHEMBL4953624 | 0.81 | — | — | |
| SCHEMBL4954596 | 0.80 | — | — | |
| SCHEMBL4954268 | 0.79 | NUDT1 (0.33) | — | |
| SCHEMBL4950150 | 0.79 | — | — | |
| SCHEMBL278769 | 0.77 | NUDT1 (0.40) | — | |
| SCHEMBL4957525 | 0.77 | MEN1 (0.37) | — |
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-7456323-B2 | 1,3-bis(3-formyl-4-hydroxyphenyl)adamantanes and polynuclear polyphenols derived therefrom | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2008-11-25 | — | — | US | disclosed |
| US-20080242896-A1 | 1,3-Bis(3-Formyl-4-Hydroxyphenyl)Adamantanes and Polynuclear Polyphenols Derived Therefrom | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2008-10-02 | — | — | US | disclosed |