⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12057075 | 0.82 | KMT2A (0.33) | — | |
| SCHEMBL9944317 | 0.82 | KMT2A (0.33) | — | |
| SCHEMBL2058777 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL2058778 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL9944261 | 0.76 | — | — | |
| SCHEMBL18193622 | 0.76 | — | — | |
| SCHEMBL10038987 | 0.76 | — | — | |
| SCHEMBL13298272 | 0.75 | — | — | |
| SCHEMBL13298208 | 0.75 | — | — | |
| SCHEMBL18193362 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9481646-B2 | Low calcemic, highly antiproliferative, analogs of calcitriol | THE JOHNS HOPKINS UNIVERSITY (US) | 2016-11-01 | — | — | US | disclosed |
| US-8772290-B2 | Alpha-arylmethoxyacrylate derivative, preparation method thereof, and pharmaceutical composition containing same | Oscotech Inc. (KR) | 2014-07-08 | — | — | US | disclosed |
| US-20120149707-A1 | ALPHA-ARYLMETHOXYACRYLATE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | OSCOTEC INC. (KR) | 2012-06-14 | — | — | US | disclosed |