⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12993164 | 0.82 | TSHR (0.50) | — | |
| Parahydroxybenzyl Alcohol SCHEMBL62690 | 0.79 | — | — | |
| Parahydroxybenzyl Alcohol SCHEMBL10792062 | 0.77 | ESR1 (0.58) | — | |
| SCHEMBL12092808 | 0.72 | ESR1 (0.61) | — | |
| SCHEMBL17826366 | 0.72 | ESR1 (0.78) | — | |
| SCHEMBL690149 | 0.72 | ESR1 (0.61) | — | |
| SCHEMBL69344 | 0.69 | ESR1 (1.00) | — | |
| SCHEMBL3873458 | 0.69 | ESR1 (1.00) | — | |
| SCHEMBL2969737 | 0.69 | ESR1 (1.00) | — | |
| SCHEMBL36454 | 0.69 | ESR1 (1.00) | — |
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-7172905-B2 | Polypeptide immobilization | THE UNIVERSITY OF CHICAGO (US) | 2007-02-06 | — | — | US | disclosed |