⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28513642 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL14052803 | 0.74 | — | — | |
| SCHEMBL3232014 | 0.72 | CA1 (0.32) | — | |
| SCHEMBL2575612 | 0.72 | CA1 (0.32) | — | |
| SCHEMBL10608198 | 0.72 | — | — | |
| SCHEMBL10608203 | 0.72 | — | — | |
| SCHEMBL14955575 | 0.71 | — | — | |
| SCHEMBL22269202 | 0.71 | — | — | |
| Chloromethane SCHEMBL27722511 | 0.69 | — | — | |
| Chloromethane SCHEMBL28011683 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1745787-A2 | Non-calcemic, antiproliferative, transcriptionally active sulfur-containing analogs of 1-alpha 25-dihydroxy Vitamin D3 | The Johns Hopkins University (US) | 2007-01-24 | — | — | EP | disclosed |
| EP-1180035-B1 | NON-CALCEMIC, ANTIPROLIFERATIVE, TRANSCRIPTIONALLY ACTIVE SULFUR-CONTAINING ANALOGS OF 1-alpha, 25-DIHYDROXY VITAMIN D3 | UNIV JOHNS HOPKINS (US) | 2006-11-02 | — | — | EP | disclosed |