⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL11557857 | 0.88 | BLM (0.42) | — | |
| SCHEMBL2946160 | 0.80 | — | — | |
| SCHEMBL22537119 | 0.78 | — | — | |
| SCHEMBL9957013 | 0.77 | — | — | |
| SCHEMBL10431371 | 0.76 | — | — | |
| SCHEMBL12497422 | 0.74 | — | — | |
| SCHEMBL20857677 | 0.74 | TRPA1 (0.31) | — | |
| SCHEMBL17053445 | 0.73 | — | — | |
| SCHEMBL21248246 | 0.73 | — | — | |
| SCHEMBL24061821 | 0.72 | TRPA1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2807482-B1 | ANALYSIS OF ESTRADIOL AND ANALYTES WITH PHENOLIC OH USING LABELING CHEMISTRY AND LC-MSMS WORKFLOW | DH TECHNOLOGIES DEV PTE LTD (SG) | 2018-03-14 | — | — | EP | disclosed |