⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1905514 | 0.72 | — | — | |
| SCHEMBL1713066 | 0.69 | — | — | |
| SCHEMBL9736327 | 0.65 | — | — | |
| Bicarbonate SCHEMBL1260607 | 0.61 | — | — | |
| Glycolic Acid SCHEMBL4019663 | 0.58 | — | — | |
| Glycolic Acid SCHEMBL1331333 | 0.58 | — | — | |
| SCHEMBL7744463 | 0.58 | — | — | |
| SCHEMBL2063233 | 0.58 | — | — | |
| Glycolic Acid SCHEMBL811403 | 0.58 | LMNA (0.50) | — | |
| Glycolic Acid SCHEMBL1222 | 0.58 | — | — |
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-0916676-A1 | Synthesis of 6 alpha-functionalized estriol haptens and protein conjugate thereof | Bayer Corporation (US) | 1999-05-19 | — | — | EP | claimed |