⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3284375 | 0.73 | — | — | |
| SCHEMBL3063476 | 0.69 | — | — | |
| SCHEMBL4252188 | 0.69 | — | — | |
| SCHEMBL2385713 | 0.69 | — | — | |
| SCHEMBL2843474 | 0.69 | — | — | |
| SCHEMBL10769013 | 0.69 | — | — | |
| SCHEMBL278363 | 0.67 | — | — | |
| Water SCHEMBL10771170 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL997328 | 0.67 | — | — | |
| SCHEMBL11033003 | 0.65 | — | — |
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-20170114013-A1 | LOW CALCEMIC, HIGHLY ANTIPROLIFERATIVE, ANALOGS OF CALCITRIOL | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2017-04-27 | — | — | US | disclosed |